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

Systemtic Name: N-(2-chlorophenyl)-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-chlorophenyl)benzamide CAS Name: N-(2-chlorophenyl)-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-chlorophenyl)benzamide Traditional Name: 4-[5-(benzylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]-N-(2-chlorophenyl)benzamide Formula: C22H16ClN3OS3 MolecularWeight: 470.02994

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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=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4Cl

InChI

InChI=1S/C22H16ClN3OS3/c23-18-8-4-5-9-19(18)24-20(27)16-10-12-17(13-11-16)26-22(28)30-21(25-26)29-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,24,27)