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

Systemtic Name: 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)ethanamide Openeye Name: N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-2-[[4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]acetamide IUPAC Name: 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide Traditional Name: N-(2-phenyl-2-pyrrolidino-ethyl)-2-[[4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NCC(C3=CC=CC=C3)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NCC(C3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C23H27N5OS/c1-18-9-11-20(12-10-18)28-17-25-26-23(28)30-16-22(29)24-15-21(27-13-5-6-14-27)19-7-3-2-4-8-19/h2-4,7-12,17,21H,5-6,13-16H2,1H3,(H,24,29)