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

Systemtic Name: methyl 2-(4-cyano-2-methyl-5-phenyl-pyrazol-3-yl)sulfanylbenzoate Openeye Name: methyl 2-(4-cyano-2-methyl-5-phenyl-pyrazol-3-yl)sulfanylbenzoate CAS Name: 2-[(4-cyano-2-methyl-5-phenyl-3-pyrazolyl)thio]benzoic acid methyl ester IUPAC Name: methyl 2-(4-cyano-2-methyl-5-phenylpyrazol-3-yl)sulfanylbenzoate Traditional Name: 2-[(4-cyano-2-methyl-5-phenyl-pyrazol-3-yl)thio]benzoic acid methyl ester Formula: C19H15N3O2S MolecularWeight: 349.4063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O2S/c1-22-18(25-16-11-7-6-10-14(16)19(23)24-2)15(12-20)17(21-22)13-8-4-3-5-9-13/h3-11H,1-2H3