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

Systemtic Name: 4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzoate IUPAC Name: 4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzoate Formula: C13H12N3O2S- MolecularWeight: 274.31828

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CC1C2=NC(=NN2)SCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C13H13N3O2S/c17-12(18)10-3-1-8(2-4-10)7-19-13-14-11(15-16-13)9-5-6-9/h1-4,9H,5-7H2,(H,17,18)(H,14,15,16)/p-1