methyl 6-[4-(4-chlorophenyl)sulfanyl-1-phenyl-pyrazol-3-yl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[4-(4-chlorophenyl)sulfanyl-1-phenyl-pyrazol-3-yl]pyridine-3-carboxylate Openeye Name: methyl 6-[4-(4-chlorophenyl)sulfanyl-1-phenyl-pyrazol-3-yl]pyridine-3-carboxylate CAS Name: 6-[4-[(4-chlorophenyl)thio]-1-phenyl-3-pyrazolyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-(4-chlorophenyl)sulfanyl-1-phenylpyrazol-3-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[(4-chlorophenyl)thio]-1-phenyl-pyrazol-3-yl]nicotinic acid methyl ester Formula: C22H16ClN3O2S MolecularWeight: 421.89934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C2=NN(C=C2SC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C2=NN(C=C2SC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H16ClN3O2S/c1-28-22(27)15-7-12-19(24-13-15)21-20(29-18-10-8-16(23)9-11-18)14-26(25-21)17-5-3-2-4-6-17/h2-14H,1H3