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

Systemtic Name: N-[(4-cyanophenyl)methyl]-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-[(4-cyanophenyl)methyl]benzamide CAS Name: N-[(4-cyanophenyl)methyl]-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-[(4-cyanophenyl)methyl]benzamide Traditional Name: 4-[5-(benzylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]-N-(4-cyanobenzyl)benzamide Formula: C24H18N4OS3 MolecularWeight: 474.62092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)C(=O)NCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)C(=O)NCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H18N4OS3/c25-14-17-6-8-18(9-7-17)15-26-22(29)20-10-12-21(13-11-20)28-24(30)32-23(27-28)31-16-19-4-2-1-3-5-19/h1-13H,15-16H2,(H,26,29)