2-bromanyl-4-methyl-3-[2-(4-methylphenyl)sulfanylethyl]-5-(4-methylphenyl)sulfonyl-1H-pyrrole

Systemtic Name: 2-bromanyl-4-methyl-3-[2-(4-methylphenyl)sulfanylethyl]-5-(4-methylphenyl)sulfonyl-1H-pyrrole Openeye Name: 2-bromo-4-methyl-3-[2-(p-tolylsulfanyl)ethyl]-5-(p-tolylsulfonyl)-1H-pyrrole CAS Name: 2-bromo-4-methyl-5-(4-methylphenyl)sulfonyl-3-[2-[(4-methylphenyl)thio]ethyl]-1H-pyrrole IUPAC Name: 2-bromo-4-methyl-3-[2-(4-methylphenyl)sulfanylethyl]-5-(4-methylphenyl)sulfonyl-1H-pyrrole Traditional Name: 2-bromo-4-methyl-3-[2-(p-tolylthio)ethyl]-5-tosyl-1H-pyrrole Formula: C21H22BrNO2S2 MolecularWeight: 464.43888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC2=C(NC(=C2C)S(=O)(=O)C3=CC=C(C=C3)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)SCCC2=C(NC(=C2C)S(=O)(=O)C3=CC=C(C=C3)C)Br

InChI

InChI=1S/C21H22BrNO2S2/c1-14-4-8-17(9-5-14)26-13-12-19-16(3)21(23-20(19)22)27(24,25)18-10-6-15(2)7-11-18/h4-11,23H,12-13H2,1-3H3