methyl 2-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)C3=CC=NC=C3

InChI

InChI=1S/C18H17N5O3S/c1-23-16(12-7-9-19-10-8-12)21-22-18(23)27-11-15(24)20-14-6-4-3-5-13(14)17(25)26-2/h3-10H,11H2,1-2H3,(H,20,24)