2-[4-(4-fluorophenyl)-5-methyl-1-methylsulfonyl-2-propan-2-yl-pyrrol-3-yl]prop-2-enenitrile

Systemtic Name: 2-[4-(4-fluorophenyl)-5-methyl-1-methylsulfonyl-2-propan-2-yl-pyrrol-3-yl]prop-2-enenitrile Openeye Name: 2-[4-(4-fluorophenyl)-2-isopropyl-5-methyl-1-methylsulfonyl-pyrrol-3-yl]prop-2-enenitrile CAS Name: 2-[4-(4-fluorophenyl)-5-methyl-1-methylsulfonyl-2-propan-2-yl-3-pyrrolyl]-2-propenenitrile IUPAC Name: 2-[4-(4-fluorophenyl)-5-methyl-1-methylsulfonyl-2-propan-2-ylpyrrol-3-yl]prop-2-enenitrile Traditional Name: 2-[4-(4-fluorophenyl)-2-isopropyl-1-mesyl-5-methyl-pyrrol-3-yl]acrylonitrile Formula: C18H19FN2O2S MolecularWeight: 346.419063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1S(=O)(=O)C)C(C)C)C(=C)C#N)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C(=C(N1S(=O)(=O)C)C(C)C)C(=C)C#N)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H19FN2O2S/c1-11(2)18-16(12(3)10-20)17(13(4)21(18)24(5,22)23)14-6-8-15(19)9-7-14/h6-9,11H,3H2,1-2,4-5H3