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

Systemtic Name: 3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoic acid IUPAC Name: 3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoic acid Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC(=NN2)SCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C2=NC(=NN2)SCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H15N3O3S/c1-23-14-8-3-2-7-13(14)15-18-17(20-19-15)24-10-11-5-4-6-12(9-11)16(21)22/h2-9H,10H2,1H3,(H,21,22)(H,18,19,20)