methyl 5-(4-chlorophenyl)sulfanyl-4-cyano-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: methyl 5-(4-chlorophenyl)sulfanyl-4-cyano-1-phenyl-pyrazole-3-carboxylate Openeye Name: methyl 5-(4-chlorophenyl)sulfanyl-4-cyano-1-phenyl-pyrazole-3-carboxylate CAS Name: 5-[(4-chlorophenyl)thio]-4-cyano-1-phenyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-chlorophenyl)sulfanyl-4-cyano-1-phenylpyrazole-3-carboxylate Traditional Name: 5-[(4-chlorophenyl)thio]-4-cyano-1-phenyl-pyrazole-3-carboxylic acid methyl ester Formula: C18H12ClN3O2S MolecularWeight: 369.82478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=C1C#N)SC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=NN(C(=C1C#N)SC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H12ClN3O2S/c1-24-18(23)16-15(11-20)17(25-14-9-7-12(19)8-10-14)22(21-16)13-5-3-2-4-6-13/h2-10H,1H3