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

Systemtic Name: 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-besyl-acrylonitrile Formula: C26H17N3O3S MolecularWeight: 451.49648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=C(C#N)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=C(C#N)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H17N3O3S/c27-17-23(33(30,31)22-12-5-2-6-13-22)15-20-18-29(21-10-3-1-4-11-21)28-26(20)25-16-19-9-7-8-14-24(19)32-25/h1-16,18H