2-[(4-bromanyl-1H-pyrrol-2-yl)-(4-methylphenyl)methyl]-5-decylsulfanyl-1H-pyrrole

Systemtic Name: 2-[(4-bromanyl-1H-pyrrol-2-yl)-(4-methylphenyl)methyl]-5-decylsulfanyl-1H-pyrrole Openeye Name: 2-[(4-bromo-1H-pyrrol-2-yl)-(p-tolyl)methyl]-5-decylsulfanyl-1H-pyrrole CAS Name: 2-[(4-bromo-1H-pyrrol-2-yl)-(4-methylphenyl)methyl]-5-(decylthio)-1H-pyrrole IUPAC Name: 2-[(4-bromo-1H-pyrrol-2-yl)-(4-methylphenyl)methyl]-5-decylsulfanyl-1H-pyrrole Traditional Name: 2-[(4-bromo-1H-pyrrol-2-yl)-(p-tolyl)methyl]-5-(decylthio)-1H-pyrrole Formula: C26H35BrN2S MolecularWeight: 487.5385

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=CC=C(N1)C(C2=CC=C(C=C2)C)C3=CC(=CN3)Br

Isomeric SMILES

CCCCCCCCCCSC1=CC=C(N1)C(C2=CC=C(C=C2)C)C3=CC(=CN3)Br

InChI

InChI=1S/C26H35BrN2S/c1-3-4-5-6-7-8-9-10-17-30-25-16-15-23(29-25)26(24-18-22(27)19-28-24)21-13-11-20(2)12-14-21/h11-16,18-19,26,28-29H,3-10,17H2,1-2H3