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

Systemtic Name: methyl 4-chloranyl-3-[2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-chloro-3-[[1-oxo-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C17H14ClN5O3S MolecularWeight: 403.84276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C17H14ClN5O3S/c1-26-16(25)11-2-3-12(18)13(8-11)20-14(24)9-27-17-21-15(22-23-17)10-4-6-19-7-5-10/h2-8H,9H2,1H3,(H,20,24)(H,21,22,23)