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

Systemtic Name: N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Openeye Name: N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: N-[3-[(2-chlorophenyl)methylthio]-4-cyano-1H-pyrazol-5-yl]-3-(3,4-dimethoxyphenyl)-2-propenamide IUPAC Name: N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Traditional Name: N-[3-[(2-chlorobenzyl)thio]-4-cyano-1H-pyrazol-5-yl]-3-(3,4-dimethoxyphenyl)acrylamide Formula: C22H19ClN4O3S MolecularWeight: 454.92926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4O3S/c1-29-18-9-7-14(11-19(18)30-2)8-10-20(28)25-21-16(12-24)22(27-26-21)31-13-15-5-3-4-6-17(15)23/h3-11H,13H2,1-2H3,(H2,25,26,27,28)