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

Systemtic Name: 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)O)C3=CC=CO3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)O)C3=CC=CO3

InChI

InChI=1S/C15H13N3O3S/c1-18-13(12-3-2-8-21-12)16-17-15(18)22-9-10-4-6-11(7-5-10)14(19)20/h2-8H,9H2,1H3,(H,19,20)