3-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate

Systemtic Name: 3-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: 3-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzoate IUPAC Name: 3-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzoate Formula: C12H12N3O2S- MolecularWeight: 262.30758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CCC1=NC(=NN1)SCC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C12H13N3O2S/c1-2-10-13-12(15-14-10)18-7-8-4-3-5-9(6-8)11(16)17/h3-6H,2,7H2,1H3,(H,16,17)(H,13,14,15)/p-1