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

Systemtic Name: methyl 3-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC)C3=CC=NC=C3

InChI

InChI=1S/C19H19N5O3S/c1-3-24-17(13-7-9-20-10-8-13)22-23-19(24)28-12-16(25)21-15-6-4-5-14(11-15)18(26)27-2/h4-11H,3,12H2,1-2H3,(H,21,25)