2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylbutyl)propanamide

Systemtic Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylbutyl)propanamide Openeye Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylbutyl)propanamide CAS Name: 2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-(1-phenylbutyl)propanamide IUPAC Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylbutyl)propanamide Traditional Name: 2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]-N-(1-phenylbutyl)propionamide Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)SC2=NN=C(N2C3CC3)N4CCCC4

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C(C)SC2=NN=C(N2C3CC3)N4CCCC4

InChI

InChI=1S/C22H31N5OS/c1-3-9-19(17-10-5-4-6-11-17)23-20(28)16(2)29-22-25-24-21(26-14-7-8-15-26)27(22)18-12-13-18/h4-6,10-11,16,18-19H,3,7-9,12-15H2,1-2H3,(H,23,28)