(Z)-3-[3-(4-methoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (Z)-3-[3-(4-methoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (Z)-3-[3-(4-methoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (Z)-3-[3-(4-methoxy-3-methylphenyl)-1-phenyl-4-pyrazolyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (Z)-3-[3-(4-methoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (Z)-3-[3-(4-methoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-tosyl-acrylonitrile Formula: C27H23N3O3S MolecularWeight: 469.55482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OC)C)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C\C2=CN(N=C2C3=CC(=C(C=C3)OC)C)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C27H23N3O3S/c1-19-9-12-24(13-10-19)34(31,32)25(17-28)16-22-18-30(23-7-5-4-6-8-23)29-27(22)21-11-14-26(33-3)20(2)15-21/h4-16,18H,1-3H3/b25-16-