(Z)-2-cyano-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]-N-prop-2-enyl-prop-2-enamide

Systemtic Name: (Z)-2-cyano-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]-N-prop-2-enyl-prop-2-enamide Openeye Name: (Z)-N-allyl-2-cyano-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enamide CAS Name: (Z)-2-cyano-3-[1-phenyl-3-[4-(propylthio)phenyl]-4-pyrazolyl]-N-prop-2-enyl-2-propenamide IUPAC Name: (Z)-2-cyano-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]-N-prop-2-enylprop-2-enamide Traditional Name: (Z)-N-allyl-2-cyano-3-[1-phenyl-3-[4-(propylthio)phenyl]pyrazol-4-yl]acrylamide Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC=C)C3=CC=CC=C3

Isomeric SMILES

CCCSC1=CC=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)NCC=C)C3=CC=CC=C3

InChI

InChI=1S/C25H24N4OS/c1-3-14-27-25(30)20(17-26)16-21-18-29(22-8-6-5-7-9-22)28-24(21)19-10-12-23(13-11-19)31-15-4-2/h3,5-13,16,18H,1,4,14-15H2,2H3,(H,27,30)/b20-16-