methyl 2-[[3-(4,6-dimethylpyrimidin-2-yl)-2H-1,2,3-triazol-1-yl]sulfonyl]benzoate

Systemtic Name: methyl 2-[[3-(4,6-dimethylpyrimidin-2-yl)-2H-1,2,3-triazol-1-yl]sulfonyl]benzoate Openeye Name: methyl 2-[[3-(4,6-dimethylpyrimidin-2-yl)-2H-triazol-1-yl]sulfonyl]benzoate CAS Name: 2-[[3-(4,6-dimethyl-2-pyrimidinyl)-2H-triazol-1-yl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-(4,6-dimethylpyrimidin-2-yl)-2H-triazol-1-yl]sulfonyl]benzoate Traditional Name: 2-[[3-(4,6-dimethylpyrimidin-2-yl)-2H-triazol-1-yl]sulfonyl]benzoic acid methyl ester Formula: C16H17N5O4S MolecularWeight: 375.40228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN(N2)S(=O)(=O)C3=CC=CC=C3C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN(N2)S(=O)(=O)C3=CC=CC=C3C(=O)OC)C

InChI

InChI=1S/C16H17N5O4S/c1-11-10-12(2)18-16(17-11)20-8-9-21(19-20)26(23,24)14-7-5-4-6-13(14)15(22)25-3/h4-10,19H,1-3H3