(E)-3-[3-(4-cyclohexylphenyl)-1-phenyl-pyrazol-4-yl]-2-thiophen-2-yl-prop-2-enenitrile

Systemtic Name: (E)-3-[3-(4-cyclohexylphenyl)-1-phenyl-pyrazol-4-yl]-2-thiophen-2-yl-prop-2-enenitrile Openeye Name: (E)-3-[3-(4-cyclohexylphenyl)-1-phenyl-pyrazol-4-yl]-2-(2-thienyl)prop-2-enenitrile CAS Name: (E)-3-[3-(4-cyclohexylphenyl)-1-phenyl-4-pyrazolyl]-2-thiophen-2-yl-2-propenenitrile IUPAC Name: (E)-3-[3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]-2-thiophen-2-ylprop-2-enenitrile Traditional Name: (E)-3-[3-(4-cyclohexylphenyl)-1-phenyl-pyrazol-4-yl]-2-(2-thienyl)acrylonitrile Formula: C28H25N3S MolecularWeight: 435.5832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C3=NN(C=C3C=C(C#N)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C3=NN(C=C3/C=C(\C#N)/C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C28H25N3S/c29-19-24(27-12-7-17-32-27)18-25-20-31(26-10-5-2-6-11-26)30-28(25)23-15-13-22(14-16-23)21-8-3-1-4-9-21/h2,5-7,10-18,20-21H,1,3-4,8-9H2/b24-18+