(2R)-N-(4-piperidin-1-ylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(4-piperidin-1-ylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1-piperidyl)phenyl]propanamide CAS Name: (2R)-N-[4-(1-piperidinyl)phenyl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(4-piperidin-1-ylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-piperidinophenyl)propionamide Formula: C19H27N5OS MolecularWeight: 373.51558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SC(C)C(=O)NC2=CC=C(C=C2)N3CCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)SC3=NNC(=N3)C(C)C

InChI

InChI=1S/C19H27N5OS/c1-13(2)17-21-19(23-22-17)26-14(3)18(25)20-15-7-9-16(10-8-15)24-11-5-4-6-12-24/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,20,25)(H,21,22,23)/t14-/m1/s1