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

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]benzoate IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]benzoate Formula: C13H13N4O2S- MolecularWeight: 289.33292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C13H14N4O2S/c14-17-11(8-5-6-8)15-16-13(17)20-7-9-3-1-2-4-10(9)12(18)19/h1-4,8H,5-7,14H2,(H,18,19)/p-1