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

Systemtic Name: 4-chloranyl-3-[2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid Formula: C24H19ClN4O3S MolecularWeight: 478.95066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C=CC(=C4)C(=O)O)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C=CC(=C4)C(=O)O)Cl

InChI

InChI=1S/C24H19ClN4O3S/c1-15-6-5-7-16(12-15)22-27-28-24(29(22)18-8-3-2-4-9-18)33-14-21(30)26-20-13-17(23(31)32)10-11-19(20)25/h2-13H,14H2,1H3,(H,26,30)(H,31,32)