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

Systemtic Name: 3-[2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: 3-[[2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 3-[[2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoate Formula: C19H17N4O3S- MolecularWeight: 381.42828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C19H18N4O3S/c1-12-6-8-13(9-7-12)17-21-22-19(23(17)2)27-11-16(24)20-15-5-3-4-14(10-15)18(25)26/h3-10H,11H2,1-2H3,(H,20,24)(H,25,26)/p-1