N-(cyanomethyl)-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: N-(cyanomethyl)-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[[4-(o-tolyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[[4-(o-tolyl)-5-thioxo-1,3,4-thiadiazol-2-yl]thio]-N-phenyl-acetamide Formula: C19H16N4OS3 MolecularWeight: 412.55154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=S)SC(=N2)SCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1N2C(=S)SC(=N2)SCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C19H16N4OS3/c1-14-7-5-6-10-16(14)23-19(25)27-18(21-23)26-13-17(24)22(12-11-20)15-8-3-2-4-9-15/h2-10H,12-13H2,1H3