(E)-2-(phenylsulfonyl)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(phenylsulfonyl)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enenitrile Openeye Name: (E)-2-(benzenesulfonyl)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-(benzenesulfonyl)-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenenitrile IUPAC Name: (E)-2-(benzenesulfonyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-besyl-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylonitrile Formula: C22H15N3O2S2 MolecularWeight: 417.5034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=C(C#N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)/C=C(\C#N)/S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H15N3O2S2/c23-15-20(29(26,27)19-10-5-2-6-11-19)14-17-16-25(18-8-3-1-4-9-18)24-22(17)21-12-7-13-28-21/h1-14,16H/b20-14+