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

Systemtic Name: (E)-2-cyano-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-3-[1-phenyl-3-[4-(propylthio)phenyl]-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[1-phenyl-3-[4-(propylthio)phenyl]pyrazol-4-yl]acrylamide Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4OS/c1-2-12-28-20-10-8-16(9-11-20)21-18(13-17(14-23)22(24)27)15-26(25-21)19-6-4-3-5-7-19/h3-11,13,15H,2,12H2,1H3,(H2,24,27)/b17-13+