(2R)-N-(1-cyanocyclohexyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C17H20N6OS MolecularWeight: 356.4453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)SC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C17H20N6OS/c1-12(15(24)21-17(11-18)7-3-2-4-8-17)25-16-20-14(22-23-16)13-5-9-19-10-6-13/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,21,24)(H,20,22,23)/t12-/m1/s1