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

Systemtic Name: 2-chloranyl-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 2-chloro-5-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-chloro-5-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 2-chloro-5-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoate Formula: C12H10ClN4O3S- MolecularWeight: 325.7508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)[O-]

Isomeric SMILES

CN1C=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)[O-]

InChI

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