2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(cyanomethyl)phenyl]ethanamide

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(cyanomethyl)phenyl]ethanamide Openeye Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-[4-(cyanomethyl)phenyl]acetamide IUPAC Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide Traditional Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-[4-(cyanomethyl)phenyl]acetamide Formula: C19H16ClN5OS MolecularWeight: 397.88124

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)CC#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)CC#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H16ClN5OS/c1-25-18(14-4-6-15(20)7-5-14)23-24-19(25)27-12-17(26)22-16-8-2-13(3-9-16)10-11-21/h2-9H,10,12H2,1H3,(H,22,26)