2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanamide

Systemtic Name: 2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanamide Openeye Name: 2-phenyl-2-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-2-phenylacetamide IUPAC Name: 2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide Traditional Name: 2-phenyl-2-[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H23N5OS MolecularWeight: 393.50522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SC(C3=CC=CC=C3)C(=O)N)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SC(C3=CC=CC=C3)C(=O)N)N4CCCC4

InChI

InChI=1S/C21H23N5OS/c1-15-9-11-17(12-10-15)26-20(25-13-5-6-14-25)23-24-21(26)28-18(19(22)27)16-7-3-2-4-8-16/h2-4,7-12,18H,5-6,13-14H2,1H3,(H2,22,27)