N-[4-[[1,4-dimethyl-5-(4-methylphenyl)carbothioyl-pyrrol-2-yl]methyl]-3-fluoranyl-phenyl]methanesulfonamide

Systemtic Name: N-[4-[[1,4-dimethyl-5-(4-methylphenyl)carbothioyl-pyrrol-2-yl]methyl]-3-fluoranyl-phenyl]methanesulfonamide Openeye Name: N-[4-[[1,4-dimethyl-5-(4-methylbenzenecarbothioyl)pyrrol-2-yl]methyl]-3-fluoro-phenyl]methanesulfonamide CAS Name: N-[4-[[1,4-dimethyl-5-[(4-methylphenyl)-sulfanylidenemethyl]-2-pyrrolyl]methyl]-3-fluorophenyl]methanesulfonamide IUPAC Name: N-[4-[[1,4-dimethyl-5-(4-methylbenzenecarbothioyl)pyrrol-2-yl]methyl]-3-fluorophenyl]methanesulfonamide Traditional Name: N-[4-[[1,4-dimethyl-5-(4-methylthiobenzoyl)pyrrol-2-yl]methyl]-3-fluoro-phenyl]methanesulfonamide Formula: C22H23FN2O2S2 MolecularWeight: 430.558623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2=C(C=C(N2C)CC3=C(C=C(C=C3)NS(=O)(=O)C)F)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2=C(C=C(N2C)CC3=C(C=C(C=C3)NS(=O)(=O)C)F)C

InChI

InChI=1S/C22H23FN2O2S2/c1-14-5-7-16(8-6-14)22(28)21-15(2)11-19(25(21)3)12-17-9-10-18(13-20(17)23)24-29(4,26)27/h5-11,13,24H,12H2,1-4H3