N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide

Systemtic Name: N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: N-[3-[(2-chlorophenyl)methylthio]-4-cyano-1H-pyrazol-5-yl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: N-[3-[(2-chlorobenzyl)thio]-4-cyano-1H-pyrazol-5-yl]-3-(4-methoxyphenyl)acrylamide Formula: C21H17ClN4O2S MolecularWeight: 424.90328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC2=C(C(=NN2)SCC3=CC=CC=C3Cl)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C=CC(=O)NC2=C(C(=NN2)SCC3=CC=CC=C3Cl)C#N

InChI

InChI=1S/C21H17ClN4O2S/c1-28-16-9-6-14(7-10-16)8-11-19(27)24-20-17(12-23)21(26-25-20)29-13-15-4-2-3-5-18(15)22/h2-11H,13H2,1H3,(H2,24,25,26,27)