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

Systemtic Name: 4-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[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=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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