S-[4-methyl-5-[2-oxidanylidene-1-(phenylmethyl)pyridin-3-yl]-1,2,4-triazol-3-yl] ethanethioate

Systemtic Name: S-[4-methyl-5-[2-oxidanylidene-1-(phenylmethyl)pyridin-3-yl]-1,2,4-triazol-3-yl] ethanethioate Openeye Name: S-[5-(1-benzyl-2-oxo-3-pyridyl)-4-methyl-1,2,4-triazol-3-yl] ethanethioate CAS Name: ethanethioic acid S-[4-methyl-5-[2-oxo-1-(phenylmethyl)-3-pyridinyl]-1,2,4-triazol-3-yl] ester IUPAC Name: S-[5-(1-benzyl-2-oxopyridin-3-yl)-4-methyl-1,2,4-triazol-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[5-(1-benzyl-2-keto-3-pyridyl)-4-methyl-1,2,4-triazol-3-yl] ester Formula: C17H16N4O2S MolecularWeight: 340.39954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=NN=C(N1C)C2=CC=CN(C2=O)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)SC1=NN=C(N1C)C2=CC=CN(C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H16N4O2S/c1-12(22)24-17-19-18-15(20(17)2)14-9-6-10-21(16(14)23)11-13-7-4-3-5-8-13/h3-10H,11H2,1-2H3