3-[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-[3-(3-methyl-4-propoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: 2-besyl-3-[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C28H25N3O3S/c1-3-16-34-27-15-14-22(17-21(27)2)28-23(20-31(30-28)24-10-6-4-7-11-24)18-26(19-29)35(32,33)25-12-8-5-9-13-25/h4-15,17-18,20H,3,16H2,1-2H3