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

Systemtic Name: 3-[(4-azanyl-5-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: 3-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]methyl]benzoate IUPAC Name: 3-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]methyl]benzoate Formula: C13H15N4O2S- MolecularWeight: 291.3488

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N)SCC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CCCC1=NN=C(N1N)SCC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C13H16N4O2S/c1-2-4-11-15-16-13(17(11)14)20-8-9-5-3-6-10(7-9)12(18)19/h3,5-7H,2,4,8,14H2,1H3,(H,18,19)/p-1