(E)-3-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: (E)-3-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: (E)-2-(benzenesulfonyl)-3-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-(benzenesulfonyl)-3-[1-phenyl-3-(4-propoxyphenyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(benzenesulfonyl)-3-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-2-besyl-3-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]acrylonitrile Formula: C27H23N3O3S MolecularWeight: 469.55482

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H23N3O3S/c1-2-17-33-24-15-13-21(14-16-24)27-22(20-30(29-27)23-9-5-3-6-10-23)18-26(19-28)34(31,32)25-11-7-4-8-12-25/h3-16,18,20H,2,17H2,1H3/b26-18+