1-[2-(4-methylphenyl)sulfanylethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-[2-(4-methylphenyl)sulfanylethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-(p-tolylsulfanyl)ethyl]triazole-4-carboxylate CAS Name: 1-[2-[(4-methylphenyl)thio]ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-(4-methylphenyl)sulfanylethyl]triazole-4-carboxylate Traditional Name: 1-[2-(p-tolylthio)ethyl]triazole-4-carboxylate Formula: C12H12N3O2S- MolecularWeight: 262.30758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCN2C=C(N=N2)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCN2C=C(N=N2)C(=O)[O-]

InChI

InChI=1S/C12H13N3O2S/c1-9-2-4-10(5-3-9)18-7-6-15-8-11(12(16)17)13-14-15/h2-5,8H,6-7H2,1H3,(H,16,17)/p-1