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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCC4

Isomeric SMILES

CC(C)C[C@H](C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCC4

InChI

InChI=1S/C22H31N5OS/c1-16(2)14-19(17-8-4-3-5-9-17)23-20(28)15-29-22-25-24-21(26-12-6-7-13-26)27(22)18-10-11-18/h3-5,8-9,16,18-19H,6-7,10-15H2,1-2H3,(H,23,28)/t19-/m1/s1