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

Systemtic Name: N-(3-cyanophenyl)-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-cyanophenyl)benzamide CAS Name: N-(3-cyanophenyl)-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-cyanophenyl)benzamide Traditional Name: 4-[5-(benzylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]-N-(3-cyanophenyl)benzamide Formula: C23H16N4OS3 MolecularWeight: 460.59434

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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)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H16N4OS3/c24-14-17-7-4-8-19(13-17)25-21(28)18-9-11-20(12-10-18)27-23(29)31-22(26-27)30-15-16-5-2-1-3-6-16/h1-13H,15H2,(H,25,28)