3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: 2-besyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H21N3O4S/c1-32-24-14-13-19(16-25(24)33-2)26-20(18-29(28-26)21-9-5-3-6-10-21)15-23(17-27)34(30,31)22-11-7-4-8-12-22/h3-16,18H,1-2H3