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

Systemtic Name: 2-[(5-cyclohexyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[(5-cyclohexyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[[5-cyclohexyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]-N-methyl-N-phenylacetamide IUPAC Name: 2-[(5-cyclohexyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide Traditional Name: 2-[(5-cyclohexyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]-N-methyl-N-phenyl-acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2N3C=CC=C3)C4CCCCC4

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2N3C=CC=C3)C4CCCCC4

InChI

InChI=1S/C21H25N5OS/c1-24(18-12-6-3-7-13-18)19(27)16-28-21-23-22-20(17-10-4-2-5-11-17)26(21)25-14-8-9-15-25/h3,6-9,12-15,17H,2,4-5,10-11,16H2,1H3