(2Z)-2-[[4-(4-fluorophenyl)-5-methyl-1-methylsulfonyl-pyrrol-3-yl]methylidene]-3-methyl-butanenitrile

Systemtic Name: (2Z)-2-[[4-(4-fluorophenyl)-5-methyl-1-methylsulfonyl-pyrrol-3-yl]methylidene]-3-methyl-butanenitrile Openeye Name: (2Z)-2-[[4-(4-fluorophenyl)-5-methyl-1-methylsulfonyl-pyrrol-3-yl]methylene]-3-methyl-butanenitrile CAS Name: (2Z)-2-[[4-(4-fluorophenyl)-5-methyl-1-methylsulfonyl-3-pyrrolyl]methylidene]-3-methylbutanenitrile IUPAC Name: (2Z)-2-[[4-(4-fluorophenyl)-5-methyl-1-methylsulfonylpyrrol-3-yl]methylidene]-3-methylbutanenitrile Traditional Name: (Z)-3-[4-(4-fluorophenyl)-1-mesyl-5-methyl-pyrrol-3-yl]-2-isopropyl-acrylonitrile Formula: C18H19FN2O2S MolecularWeight: 346.419063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN1S(=O)(=O)C)C=C(C#N)C(C)C)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C(=CN1S(=O)(=O)C)/C=C(\C#N)/C(C)C)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H19FN2O2S/c1-12(2)15(10-20)9-16-11-21(24(4,22)23)13(3)18(16)14-5-7-17(19)8-6-14/h5-9,11-12H,1-4H3/b15-9+