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

Systemtic Name: 4-chloranyl-3-[2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid Formula: C18H15ClN4O4S MolecularWeight: 418.8541

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C18H15ClN4O4S/c1-27-12-5-2-10(3-6-12)16-21-18(23-22-16)28-9-15(24)20-14-8-11(17(25)26)4-7-13(14)19/h2-8H,9H2,1H3,(H,20,24)(H,25,26)(H,21,22,23)