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

Systemtic Name: 4-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]benzoate IUPAC Name: 4-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(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=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCC3=CC=C(C=C3)C(=O)[O-]

InChI

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