2-(4-chlorophenyl)sulfonyl-3-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: 2-(4-chlorophenyl)sulfonyl-3-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: 2-(4-chlorophenyl)sulfonyl-3-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: 2-(4-chlorophenyl)sulfonyl-3-[3-(4-ethoxy-3-methylphenyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: 2-(4-chlorophenyl)sulfonyl-3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: 2-(4-chlorophenyl)sulfonyl-3-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C27H22ClN3O3S MolecularWeight: 503.99988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C

InChI

InChI=1S/C27H22ClN3O3S/c1-3-34-26-14-9-20(15-19(26)2)27-21(18-31(30-27)23-7-5-4-6-8-23)16-25(17-29)35(32,33)24-12-10-22(28)11-13-24/h4-16,18H,3H2,1-2H3