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

Systemtic Name: (2R)-N-(4-cyanophenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(4-cyanophenyl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-(4-cyanophenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(4-cyanophenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(4-cyanophenyl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H20N6OS MolecularWeight: 392.4774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C#N)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1S[C@H](C)C(=O)NC2=CC=C(C=C2)C#N)C3=CC=NC=C3

InChI

InChI=1S/C20H20N6OS/c1-3-12-26-18(16-8-10-22-11-9-16)24-25-20(26)28-14(2)19(27)23-17-6-4-15(13-21)5-7-17/h4-11,14H,3,12H2,1-2H3,(H,23,27)/t14-/m1/s1