N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenyl-pyrazol-3-yl]-3-(4-methoxyphenyl)prop-2-enamide

Systemtic Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenyl-pyrazol-3-yl]-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenyl-pyrazol-3-yl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: N-[5-[(2-chlorophenyl)methylthio]-4-cyano-2-phenyl-3-pyrazolyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenylpyrazol-3-yl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: N-[5-[(2-chlorobenzyl)thio]-4-cyano-2-phenyl-pyrazol-3-yl]-3-(4-methoxyphenyl)acrylamide Formula: C27H21ClN4O2S MolecularWeight: 500.99924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21ClN4O2S/c1-34-22-14-11-19(12-15-22)13-16-25(33)30-26-23(17-29)27(31-32(26)21-8-3-2-4-9-21)35-18-20-7-5-6-10-24(20)28/h2-16H,18H2,1H3,(H,30,33)