N-(2-ethyl-6-methyl-phenyl)-4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-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-ethyl-6-methyl-phenyl)benzamide CAS Name: N-(2-ethyl-6-methylphenyl)-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-ethyl-6-methylphenyl)benzamide Traditional Name: 4-[5-(benzylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]-N-(2-ethyl-6-methyl-phenyl)benzamide Formula: C25H23N3OS3 MolecularWeight: 477.66462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SCC4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SCC4=CC=CC=C4)C

InChI

InChI=1S/C25H23N3OS3/c1-3-19-11-7-8-17(2)22(19)26-23(29)20-12-14-21(15-13-20)28-25(30)32-24(27-28)31-16-18-9-5-4-6-10-18/h4-15H,3,16H2,1-2H3,(H,26,29)