1-[2-(3-methoxyphenyl)sulfanylethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(3-methoxyphenyl)sulfanylethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(3-methoxyphenyl)sulfanylethyl]triazole-4-carboxylic acid CAS Name: 1-[2-[(3-methoxyphenyl)thio]ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(3-methoxyphenyl)sulfanylethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-[(3-methoxyphenyl)thio]ethyl]triazole-4-carboxylic acid Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SCCN2C=C(N=N2)C(=O)O

Isomeric SMILES

COC1=CC(=CC=C1)SCCN2C=C(N=N2)C(=O)O

InChI

InChI=1S/C12H13N3O3S/c1-18-9-3-2-4-10(7-9)19-6-5-15-8-11(12(16)17)13-14-15/h2-4,7-8H,5-6H2,1H3,(H,16,17)