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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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