(E)-2-(4-methylphenyl)sulfonyl-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(4-methylphenyl)sulfonyl-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-3-(1-benzylpyrazol-4-yl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-2-(4-methylphenyl)sulfonyl-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-2-tosyl-acrylonitrile Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CN(N=C2)CC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CN(N=C2)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C20H17N3O2S/c1-16-7-9-19(10-8-16)26(24,25)20(12-21)11-18-13-22-23(15-18)14-17-5-3-2-4-6-17/h2-11,13,15H,14H2,1H3/b20-11+