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

Systemtic Name: methyl 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NNC(=N2)N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NNC(=N2)N

InChI

InChI=1S/C11H12N4O2S/c1-17-9(16)8-4-2-3-7(5-8)6-18-11-13-10(12)14-15-11/h2-5H,6H2,1H3,(H3,12,13,14,15)