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

Systemtic Name: 2-chloranyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 2-chloro-4-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-chloro-4-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 2-chloro-4-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid Formula: C12H11ClN4O3S MolecularWeight: 326.75874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC(=O)NC2=CC(=C(C=C2)C(=O)O)Cl

Isomeric SMILES

CC1=NC(=NN1)SCC(=O)NC2=CC(=C(C=C2)C(=O)O)Cl

InChI

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