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

Systemtic Name: (Z)-2-cyano-N-(phenylmethyl)-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (Z)-N-benzyl-2-cyano-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enamide CAS Name: (Z)-2-cyano-N-(phenylmethyl)-3-[1-phenyl-3-[4-(propylthio)phenyl]-4-pyrazolyl]-2-propenamide IUPAC Name: (Z)-N-benzyl-2-cyano-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enamide Traditional Name: (Z)-N-benzyl-2-cyano-3-[1-phenyl-3-[4-(propylthio)phenyl]pyrazol-4-yl]acrylamide Formula: C29H26N4OS MolecularWeight: 478.60794

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCSC1=CC=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H26N4OS/c1-2-17-35-27-15-13-23(14-16-27)28-25(21-33(32-28)26-11-7-4-8-12-26)18-24(19-30)29(34)31-20-22-9-5-3-6-10-22/h3-16,18,21H,2,17,20H2,1H3,(H,31,34)/b24-18-