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

Systemtic Name: methyl 4-[2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[4-ethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[4-ethyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[4-ethyl-5-(3-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=C(C=C2)C(=O)OC)C3=CN=CC=C3

Isomeric SMILES

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

InChI

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