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

Systemtic Name: N-phenethyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-phenethyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-phenethyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-phenethyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-phenethyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H17N5OS MolecularWeight: 339.41478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C17H17N5OS/c23-15(19-11-6-13-4-2-1-3-5-13)12-24-17-20-16(21-22-17)14-7-9-18-10-8-14/h1-5,7-10H,6,11-12H2,(H,19,23)(H,20,21,22)