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

Systemtic Name: methyl 4-chloranyl-3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate CAS Name: 4-chloro-3-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[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=CC(=C(C=C1)Cl)NC(=O)CSC2=NC=NN2

Isomeric SMILES

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

InChI

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