methyl 3-[2-[(4-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(4-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[[4-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[[4-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[4-(2-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C17H15N5O3S MolecularWeight: 369.3977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=CN2C3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=CN2C3=CC=CC=N3

InChI

InChI=1S/C17H15N5O3S/c1-25-16(24)12-5-4-6-13(9-12)20-15(23)10-26-17-21-19-11-22(17)14-7-2-3-8-18-14/h2-9,11H,10H2,1H3,(H,20,23)