(E)-3-(1,3-dimethylpyrazol-4-yl)-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: (E)-3-(1,3-dimethylpyrazol-4-yl)-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: (E)-2-(benzenesulfonyl)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enenitrile CAS Name: (E)-2-(benzenesulfonyl)-3-(1,3-dimethyl-4-pyrazolyl)-2-propenenitrile IUPAC Name: (E)-2-(benzenesulfonyl)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-besyl-3-(1,3-dimethylpyrazol-4-yl)acrylonitrile Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C=C(C#N)S(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=NN(C=C1/C=C(\C#N)/S(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C14H13N3O2S/c1-11-12(10-17(2)16-11)8-14(9-15)20(18,19)13-6-4-3-5-7-13/h3-8,10H,1-2H3/b14-8+