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

Systemtic Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenyl-pyrazol-3-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenyl-pyrazol-3-yl]-3,4-dimethoxy-benzamide CAS Name: N-[5-[(2-chlorophenyl)methylthio]-4-cyano-2-phenyl-3-pyrazolyl]-3,4-dimethoxybenzamide IUPAC Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenylpyrazol-3-yl]-3,4-dimethoxybenzamide Traditional Name: N-[5-[(2-chlorobenzyl)thio]-4-cyano-2-phenyl-pyrazol-3-yl]-3,4-dimethoxy-benzamide Formula: C26H21ClN4O3S MolecularWeight: 504.98794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21ClN4O3S/c1-33-22-13-12-17(14-23(22)34-2)25(32)29-24-20(15-28)26(30-31(24)19-9-4-3-5-10-19)35-16-18-8-6-7-11-21(18)27/h3-14H,16H2,1-2H3,(H,29,32)