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

Systemtic Name: N-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)benzamide CAS Name: N-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)benzamide Traditional Name: 4-[5-(benzylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]-N-(2,4-dimethylphenyl)benzamide Formula: C24H21N3OS3 MolecularWeight: 463.63804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SCC4=CC=CC=C4)C

InChI

InChI=1S/C24H21N3OS3/c1-16-8-13-21(17(2)14-16)25-22(28)19-9-11-20(12-10-19)27-24(29)31-23(26-27)30-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,25,28)