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

Systemtic Name: propyl 4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: propyl 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]benzoic acid propyl ester IUPAC Name: propyl 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]benzoic acid propyl ester Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)CSC2=NNC(=N2)N

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)CSC2=NNC(=N2)N

InChI

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