2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-methyl-2-phenyl-propyl)ethanamide

Systemtic Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-methyl-2-phenyl-propyl)ethanamide Openeye Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(2-methyl-2-phenyl-propyl)acetamide CAS Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-methyl-2-phenylpropyl)acetamide IUPAC Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-methyl-2-phenylpropyl)acetamide Traditional Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-neophyl-acetamide Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)CN1C(=NNC1=S)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)(CNC(=O)CN1C(=NNC1=S)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H21ClN4OS/c1-20(2,15-6-4-3-5-7-15)13-22-17(26)12-25-18(23-24-19(25)27)14-8-10-16(21)11-9-14/h3-11H,12-13H2,1-2H3,(H,22,26)(H,24,27)