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

Systemtic Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide Openeye Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)acetamide CAS Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-[2-methyl-4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-methyl-4-pyrrolidino-phenyl)acetamide Formula: C24H27N5OS MolecularWeight: 433.56908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CSC3=NN(C(=N3)C4CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CSC3=NN(C(=N3)C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C24H27N5OS/c1-17-15-20(28-13-5-6-14-28)11-12-21(17)25-22(30)16-31-24-26-23(18-9-10-18)29(27-24)19-7-3-2-4-8-19/h2-4,7-8,11-12,15,18H,5-6,9-10,13-14,16H2,1H3,(H,25,30)