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

Systemtic Name: (2S)-N-(4-ethylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(4-ethylphenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-N-(4-ethylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(4-ethylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(4-ethylphenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H19N5OS MolecularWeight: 353.44136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C18H19N5OS/c1-3-13-4-6-15(7-5-13)20-17(24)12(2)25-18-21-16(22-23-18)14-8-10-19-11-9-14/h4-12H,3H2,1-2H3,(H,20,24)(H,21,22,23)/t12-/m0/s1