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

Systemtic Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-cyclohexyl-N-methyl-ethanamide Openeye Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-cyclohexyl-N-methyl-acetamide CAS Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-cyclohexyl-N-methylacetamide IUPAC Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-cyclohexyl-N-methylacetamide Traditional Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-cyclohexyl-N-methyl-acetamide Formula: C17H21ClN4OS MolecularWeight: 364.89284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C1CCCCC1)C(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H21ClN4OS/c1-21(14-5-3-2-4-6-14)15(23)11-22-16(19-20-17(22)24)12-7-9-13(18)10-8-12/h7-10,14H,2-6,11H2,1H3,(H,20,24)