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

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)acetamide CAS Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-[3-methyl-4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-(3-methyl-4-pyrrolidino-phenyl)acetamide Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2C3CC3)C4CC4)N5CCCC5

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2C3CC3)C4CC4)N5CCCC5

InChI

InChI=1S/C21H27N5OS/c1-14-12-16(6-9-18(14)25-10-2-3-11-25)22-19(27)13-28-21-24-23-20(15-4-5-15)26(21)17-7-8-17/h6,9,12,15,17H,2-5,7-8,10-11,13H2,1H3,(H,22,27)