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

Systemtic Name: methyl 4-chloranyl-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C13H13ClN4O3S MolecularWeight: 340.78532

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl

Isomeric SMILES

CN1C=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl

InChI

InChI=1S/C13H13ClN4O3S/c1-18-7-15-17-13(18)22-6-11(19)16-10-5-8(12(20)21-2)3-4-9(10)14/h3-5,7H,6H2,1-2H3,(H,16,19)