5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-phenyl-triazole-4-carboxylate CAS Name: 5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-phenyl-4-triazolecarboxylate IUPAC Name: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-phenyltriazole-4-carboxylate Traditional Name: 5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1-phenyl-triazole-4-carboxylate Formula: C16H14N5O2S- MolecularWeight: 340.37966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=C(N=NN2C3=CC=CC=C3)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=C(N=NN2C3=CC=CC=C3)C(=O)[O-])C

InChI

InChI=1S/C16H15N5O2S/c1-10-8-11(2)18-16(17-10)24-9-13-14(15(22)23)19-20-21(13)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,22,23)/p-1