(E)-2-(4-methylphenyl)sulfonyl-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-methylphenyl)sulfonyl-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile Openeye Name: (E)-3-(1-phenylpyrazol-4-yl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-2-(4-methylphenyl)sulfonyl-3-(1-phenyl-4-pyrazolyl)-2-propenenitrile IUPAC Name: (E)-2-(4-methylphenyl)sulfonyl-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-3-(1-phenylpyrazol-4-yl)-2-tosyl-acrylonitrile Formula: C19H15N3O2S MolecularWeight: 349.4063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CN(N=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CN(N=C2)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C19H15N3O2S/c1-15-7-9-18(10-8-15)25(23,24)19(12-20)11-16-13-21-22(14-16)17-5-3-2-4-6-17/h2-11,13-14H,1H3/b19-11+