COMPOUND: C15639
Help
Entry
C15639 Compound
Name
CITCO;
6-(4-Chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde O-(3,4-dichlorobenzyl)oxime
Formula
C19H12Cl3N3OS
Exact mass
434.9767
Mol weight
436.7421
Structure
Mol file
KCF file
DB search
Other DBs
CAS:
338404-52-7
PubChem:
17396629
PDB-CCD:
CID
[
PDBj
]
NIKKAJI:
J1.910.910K
LinkDB
All DBs
KCF data
Show
ATOM 27
1 C8y C 19.0244 -26.7418
2 C8y C 19.0244 -25.4073
3 C8y C 20.1800 -27.4090
4 C8x C 21.3357 -26.7418
5 N2b N 21.3357 -25.4073
6 C2b C 20.1800 -24.7401
7 C8x C 20.1800 -28.7434
8 C8x C 21.3357 -29.4106
9 C8y C 22.4913 -28.7434
10 C8x C 22.4913 -27.4090
11 C1b C 23.6470 -25.4073
12 O2a O 22.4913 -24.7401
13 C8x C 25.9583 -25.4073
14 C8y C 24.8027 -24.7401
15 C8x C 27.1139 -24.7401
16 C8y C 27.1139 -23.4057
17 C8y C 25.9583 -22.7385
18 C8x C 24.8027 -23.4057
19 X Cl 25.9583 -21.4041
20 X Cl 28.2931 -22.7245
21 X Cl 23.6347 -29.4037
22 N4y N 17.7552 -24.9950
23 C8y C 16.9709 -26.0746
24 N5x N 17.7552 -27.1541
25 C8x C 16.9708 -23.9155
26 C8x C 15.7017 -24.3279
27 S2x S 15.7018 -25.6623
BOND 30
1 1 2 2
2 1 3 1
3 3 4 1
4 5 6 2
5 2 6 1
6 3 7 2
7 7 8 1
8 8 9 2
9 9 10 1
10 10 4 2
11 11 12 1
12 5 12 1
13 13 14 1
14 11 14 1
15 13 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 14 18 2
20 17 19 1
21 16 20 1
22 9 21 1
23 2 22 1
24 22 23 1
25 23 24 2
26 1 24 1
27 22 25 1
28 25 26 2
29 26 27 1
30 23 27 1
» Japanese version
DBGET
integrated database retrieval system