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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O2S/c1-2-3-11-15-16-13(17(11)14)20-8-9-4-6-10(7-5-9)12(18)19/h4-7H,2-3,8,14H2,1H3,(H,18,19)/p-1