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

Systemtic Name: 4-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoate Formula: C18H15N4O3S- MolecularWeight: 367.4017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H16N4O3S/c1-11-2-4-12(5-3-11)16-20-18(22-21-16)26-10-15(23)19-14-8-6-13(7-9-14)17(24)25/h2-9H,10H2,1H3,(H,19,23)(H,24,25)(H,20,21,22)/p-1