methyl 2-(4-methanoyl-2-methyl-5-phenyl-pyrazol-3-yl)sulfanylbenzoate

Systemtic Name: methyl 2-(4-methanoyl-2-methyl-5-phenyl-pyrazol-3-yl)sulfanylbenzoate Openeye Name: methyl 2-(4-formyl-2-methyl-5-phenyl-pyrazol-3-yl)sulfanylbenzoate CAS Name: 2-[(4-formyl-2-methyl-5-phenyl-3-pyrazolyl)thio]benzoic acid methyl ester IUPAC Name: methyl 2-(4-formyl-2-methyl-5-phenylpyrazol-3-yl)sulfanylbenzoate Traditional Name: 2-[(4-formyl-2-methyl-5-phenyl-pyrazol-3-yl)thio]benzoic acid methyl ester Formula: C19H16N2O3S MolecularWeight: 352.40694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O3S/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/h3-12H,1-2H3