2-methoxy-5-(3-methylsulfanyl-1,2,4-triazol-4-yl)benzoic acid

Systemtic Name: 2-methoxy-5-(3-methylsulfanyl-1,2,4-triazol-4-yl)benzoic acid Openeye Name: 2-methoxy-5-(3-methylsulfanyl-1,2,4-triazol-4-yl)benzoic acid CAS Name: 2-methoxy-5-[3-(methylthio)-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 2-methoxy-5-(3-methylsulfanyl-1,2,4-triazol-4-yl)benzoic acid Traditional Name: 2-methoxy-5-[3-(methylthio)-1,2,4-triazol-4-yl]benzoic acid Formula: C11H11N3O3S MolecularWeight: 265.28834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C=NN=C2SC)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)N2C=NN=C2SC)C(=O)O

InChI

InChI=1S/C11H11N3O3S/c1-17-9-4-3-7(5-8(9)10(15)16)14-6-12-13-11(14)18-2/h3-6H,1-2H3,(H,15,16)