(E)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-2-methylsulfonyl-prop-2-enenitrile CAS Name: (E)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]-2-methylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-2-methylsulfonylprop-2-enenitrile Traditional Name: (E)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-2-mesyl-acrylonitrile Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(=CC1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4)C#N

Isomeric SMILES

CS(=O)(=O)/C(=C/C1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C21H17N3O4S/c1-29(25,26)18(13-22)11-16-14-24(17-5-3-2-4-6-17)23-21(16)15-7-8-19-20(12-15)28-10-9-27-19/h2-8,11-12,14H,9-10H2,1H3/b18-11+