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

Systemtic Name: methyl 4-[(3-azanyl-1H-1,2,4-triazol-5-yl)sulfonylmethyl]benzoate Openeye Name: methyl 4-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonylmethyl]benzoate CAS Name: 4-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonylmethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonylmethyl]benzoate Traditional Name: 4-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonylmethyl]benzoic acid methyl ester Formula: C11H12N4O4S MolecularWeight: 296.30238

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CS(=O)(=O)C2=NC(=NN2)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CS(=O)(=O)C2=NC(=NN2)N

InChI

InChI=1S/C11H12N4O4S/c1-19-9(16)8-4-2-7(3-5-8)6-20(17,18)11-13-10(12)14-15-11/h2-5H,6H2,1H3,(H3,12,13,14,15)