N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenyl-pyrazol-3-yl]-4-methoxy-benzamide

Systemtic Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenyl-pyrazol-3-yl]-4-methoxy-benzamide Openeye Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenyl-pyrazol-3-yl]-4-methoxy-benzamide CAS Name: N-[5-[(2-chlorophenyl)methylthio]-4-cyano-2-phenyl-3-pyrazolyl]-4-methoxybenzamide IUPAC Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenylpyrazol-3-yl]-4-methoxybenzamide Traditional Name: N-[5-[(2-chlorobenzyl)thio]-4-cyano-2-phenyl-pyrazol-3-yl]-4-methoxy-benzamide Formula: C25H19ClN4O2S MolecularWeight: 474.96196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=C(C(=NN2C3=CC=CC=C3)SCC4=CC=CC=C4Cl)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=C(C(=NN2C3=CC=CC=C3)SCC4=CC=CC=C4Cl)C#N

InChI

InChI=1S/C25H19ClN4O2S/c1-32-20-13-11-17(12-14-20)24(31)28-23-21(15-27)25(29-30(23)19-8-3-2-4-9-19)33-16-18-7-5-6-10-22(18)26/h2-14H,16H2,1H3,(H,28,31)