(E)-3-(1,3-diphenylpyrazol-4-yl)-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-2-methylsulfonyl-prop-2-enenitrile CAS Name: (E)-3-(1,3-diphenyl-4-pyrazolyl)-2-methylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-2-methylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-2-mesyl-acrylonitrile Formula: C19H15N3O2S MolecularWeight: 349.4063

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(=CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CS(=O)(=O)/C(=C/C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C19H15N3O2S/c1-25(23,24)18(13-20)12-16-14-22(17-10-6-3-7-11-17)21-19(16)15-8-4-2-5-9-15/h2-12,14H,1H3/b18-12+