(E)-3-(4-imidazol-1-ylphenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(4-imidazol-1-ylphenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-imidazol-1-ylphenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-[4-(1-imidazolyl)phenyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(4-imidazol-1-ylphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(4-imidazol-1-ylphenyl)-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=CC=C(C=C2)N3C=CN=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC=C(C=C2)N3C=CN=C3)/C#N

InChI

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