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

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

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)/p-1