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

Systemtic Name: ethyl 4-[(3-azanyl-1H-1,2,4-triazol-5-yl)sulfonylmethyl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O4S/c1-2-20-10(17)9-5-3-8(4-6-9)7-21(18,19)12-14-11(13)15-16-12/h3-6H,2,7H2,1H3,(H3,13,14,15,16)