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

Systemtic Name: N-(4-ethanoylphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(4-acetylphenyl)-2-[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-acetylphenyl)-2-[[5-(3-pyridinyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-acetylphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-acetylphenyl)-2-[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H17N5O2S MolecularWeight: 367.42488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NNC(=N2)C3=CN=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NNC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C18H17N5O2S/c1-11(24)13-5-7-15(8-6-13)20-17(25)12(2)26-18-21-16(22-23-18)14-4-3-9-19-10-14/h3-10,12H,1-2H3,(H,20,25)(H,21,22,23)