(3R)-1-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-3-carboxamide

Systemtic Name: (3R)-1-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-3-carboxamide Openeye Name: (3R)-1-[2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-3-carboxamide CAS Name: (3R)-1-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxamide Traditional Name: (3R)-1-[2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]nipecotamide Formula: C18H22N6O2S MolecularWeight: 386.47128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4)C(=O)N

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4)C(=O)N

InChI

InChI=1S/C18H22N6O2S/c19-16(26)13-2-1-9-23(10-13)15(25)11-27-18-22-21-17(24(18)14-3-4-14)12-5-7-20-8-6-12/h5-8,13-14H,1-4,9-11H2,(H2,19,26)/t13-/m1/s1