(E)-2-(3,4-dimethylphenyl)sulfonyl-3-(1,3-diphenylpyrazol-4-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(3,4-dimethylphenyl)sulfonyl-3-(1,3-diphenylpyrazol-4-yl)prop-2-enenitrile Openeye Name: (E)-2-(3,4-dimethylphenyl)sulfonyl-3-(1,3-diphenylpyrazol-4-yl)prop-2-enenitrile CAS Name: (E)-2-(3,4-dimethylphenyl)sulfonyl-3-(1,3-diphenyl-4-pyrazolyl)-2-propenenitrile IUPAC Name: (E)-2-(3,4-dimethylphenyl)sulfonyl-3-(1,3-diphenylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-(3,4-dimethylphenyl)sulfonyl-3-(1,3-diphenylpyrazol-4-yl)acrylonitrile Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21N3O2S/c1-19-13-14-24(15-20(19)2)32(30,31)25(17-27)16-22-18-29(23-11-7-4-8-12-23)28-26(22)21-9-5-3-6-10-21/h3-16,18H,1-2H3/b25-16+