methyl 2-chloranyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 2-chloro-5-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate CAS Name: 2-chloro-5-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]benzoic acid methyl ester Formula: C12H11ClN4O3S MolecularWeight: 326.75874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NC=NN2)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NC=NN2)Cl

InChI

InChI=1S/C12H11ClN4O3S/c1-20-11(19)8-4-7(2-3-9(8)13)16-10(18)5-21-12-14-6-15-17-12/h2-4,6H,5H2,1H3,(H,16,18)(H,14,15,17)