N-(3-methoxyphenyl)-4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzamide

Systemtic Name: N-(3-methoxyphenyl)-4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzamide Openeye Name: 4-(5-benzylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)-N-(3-methoxyphenyl)benzamide CAS Name: N-(3-methoxyphenyl)-4-[5-(phenylmethylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzamide IUPAC Name: 4-(5-benzylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)-N-(3-methoxyphenyl)benzamide Traditional Name: 4-[5-(benzylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]-N-(3-methoxyphenyl)benzamide Formula: C23H19N3O2S3 MolecularWeight: 465.61086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SCC4=CC=CC=C4

InChI

InChI=1S/C23H19N3O2S3/c1-28-20-9-5-8-18(14-20)24-21(27)17-10-12-19(13-11-17)26-23(29)31-22(25-26)30-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,24,27)