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

Systemtic Name: propan-2-yl 4-[(4-azanyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: isopropyl 4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-amino-1,2,4-triazol-3-yl)thio]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-amino-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=C(C=C1)CSC2=NN=CN2N

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)CSC2=NN=CN2N

InChI

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