2-cyano-3-[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-N-(3-methoxypropyl)prop-2-enamide

Systemtic Name: 2-cyano-3-[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-N-(3-methoxypropyl)prop-2-enamide Openeye Name: 2-cyano-3-[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-N-(3-methoxypropyl)prop-2-enamide CAS Name: 2-cyano-3-[3-[4-(ethylthio)phenyl]-1-phenyl-4-pyrazolyl]-N-(3-methoxypropyl)-2-propenamide IUPAC Name: 2-cyano-3-[3-(4-ethylsulfanylphenyl)-1-phenylpyrazol-4-yl]-N-(3-methoxypropyl)prop-2-enamide Traditional Name: 2-cyano-3-[3-[4-(ethylthio)phenyl]-1-phenyl-pyrazol-4-yl]-N-(3-methoxypropyl)acrylamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCCCOC)C3=CC=CC=C3

Isomeric SMILES

CCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCCCOC)C3=CC=CC=C3

InChI

InChI=1S/C25H26N4O2S/c1-3-32-23-12-10-19(11-13-23)24-21(18-29(28-24)22-8-5-4-6-9-22)16-20(17-26)25(30)27-14-7-15-31-2/h4-6,8-13,16,18H,3,7,14-15H2,1-2H3,(H,27,30)