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

Systemtic Name: (E)-3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-methylsulfonyl-prop-2-enenitrile CAS Name: (E)-3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-2-methylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-2-methylsulfonylprop-2-enenitrile Traditional Name: (E)-3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-mesyl-acrylonitrile Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(=CC1=CN(N=C1C2=CC3=CC=CC=C3O2)C4=CC=CC=C4)C#N

Isomeric SMILES

CS(=O)(=O)/C(=C/C1=CN(N=C1C2=CC3=CC=CC=C3O2)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C21H15N3O3S/c1-28(25,26)18(13-22)11-16-14-24(17-8-3-2-4-9-17)23-21(16)20-12-15-7-5-6-10-19(15)27-20/h2-12,14H,1H3/b18-11+