methyl 2-[4-(hydroxymethyl)-2-methyl-5-phenyl-pyrazol-3-yl]sulfanylbenzoate

Systemtic Name: methyl 2-[4-(hydroxymethyl)-2-methyl-5-phenyl-pyrazol-3-yl]sulfanylbenzoate Openeye Name: methyl 2-[4-(hydroxymethyl)-2-methyl-5-phenyl-pyrazol-3-yl]sulfanylbenzoate CAS Name: 2-[[4-(hydroxymethyl)-2-methyl-5-phenyl-3-pyrazolyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(hydroxymethyl)-2-methyl-5-phenylpyrazol-3-yl]sulfanylbenzoate Traditional Name: 2-[(2-methyl-4-methylol-5-phenyl-pyrazol-3-yl)thio]benzoic acid methyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC=CC=C2)CO)SC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC=CC=C2)CO)SC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C19H18N2O3S/c1-21-18(25-16-11-7-6-10-14(16)19(23)24-2)15(12-22)17(20-21)13-8-4-3-5-9-13/h3-11,22H,12H2,1-2H3