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

Systemtic Name: 2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)ethanamide Openeye Name: 2-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide CAS Name: 2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-[2-(1-pyrrolidinyl)ethyl]acetamide IUPAC Name: 2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide Traditional Name: 2-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-(2-pyrrolidinoethyl)acetamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCCN4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCCN4CCCC4

InChI

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