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

Systemtic Name: 4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoate Formula: C12H11N4O3S- MolecularWeight: 291.30574

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-]

Isomeric SMILES

CC1=NC(=NN1)SCC(=O)NC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C12H12N4O3S/c1-7-13-12(16-15-7)20-6-10(17)14-9-4-2-8(3-5-9)11(18)19/h2-5H,6H2,1H3,(H,14,17)(H,18,19)(H,13,15,16)/p-1