N-[4-[1-[4-methyl-5-(4-methylphenyl)carbothioyl-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[1-[4-methyl-5-(4-methylphenyl)carbothioyl-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide Openeye Name: N-[4-[1-[4-methyl-5-(4-methylbenzenecarbothioyl)-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide CAS Name: N-[4-[1-[4-methyl-5-[(4-methylphenyl)-sulfanylidenemethyl]-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[1-[4-methyl-5-(4-methylbenzenecarbothioyl)-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide Traditional Name: N-[4-[1-[4-methyl-5-(4-methylthiobenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]methanesulfonamide Formula: C22H24N2O2S2 MolecularWeight: 412.56816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2=C(C=C(N2)C(C)C3=CC=C(C=C3)NS(=O)(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2=C(C=C(N2)C(C)C3=CC=C(C=C3)NS(=O)(=O)C)C

InChI

InChI=1S/C22H24N2O2S2/c1-14-5-7-18(8-6-14)22(27)21-15(2)13-20(23-21)16(3)17-9-11-19(12-10-17)24-28(4,25)26/h5-13,16,23-24H,1-4H3