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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C27H22ClN3O3S/c1-19(2)34-24-12-8-20(9-13-24)27-21(18-31(30-27)23-6-4-3-5-7-23)16-26(17-29)35(32,33)25-14-10-22(28)11-15-25/h3-16,18-19H,1-2H3