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

Systemtic Name: N-(2-methylsulfanylphenyl)-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-(2-methylsulfanylphenyl)benzamide CAS Name: N-[2-(methylthio)phenyl]-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-(2-methylsulfanylphenyl)benzamide Traditional Name: 4-[5-(benzylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]-N-[2-(methylthio)phenyl]benzamide Formula: C23H19N3OS4 MolecularWeight: 481.67646

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SCC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SCC4=CC=CC=C4

InChI

InChI=1S/C23H19N3OS4/c1-29-20-10-6-5-9-19(20)24-21(27)17-11-13-18(14-12-17)26-23(28)31-22(25-26)30-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,24,27)