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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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