2-[[4-(4-bromophenyl)-9-(2,6-dimethylphenyl)-5-oxo-8-sulfanylidene-7-thia-2,4,9-triazabicyclo[4.3.0]nona-2,10-dien-3-yl]sulfanyl]acetonitrile
Molecular Formula:
C
21
H
15
BrN
4
OS
3
InChI:
InChI=1/C21H15BrN4OS3/c1-12-4-3-5-13(2)16(12)26-18-17(30-21(26)28)19(27)25(20(24-18)29-11-10-23)15-8-6-14(22)7-9-15/h3-9H,11H2,1-2H3
InChIKey:
InChIKey=MSXFUCWEOIOYCD-UHFFFAOYAO
SMILES:
CC1=C(C(=CC=C1)C)N2C3=C(C(=O)N(C(=N3)SCC#N)C4=CC=C(C=C4)Br)SC2=S
Names:
2-[[4-(4-bromophenyl)-9-(2,6-dimethylphenyl)-5-oxo-8-sulfanylidene-7-thia-2,4,9-triazabicyclo[4.3.0]nona-2,10-dien-3-yl]sulfanyl]acetonitrile
Registries:
PubChem CID 3568344
PubChem ID 4832604