10-bromanyl-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-decanenitrile

Systemtic Name: 10-bromanyl-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-decanenitrile Openeye Name: 10-bromo-2-(3,4-dimethoxyphenyl)-2-(p-tolylsulfanyl)decanenitrile CAS Name: 10-bromo-2-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)thio]decanenitrile IUPAC Name: 10-bromo-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyldecanenitrile Traditional Name: 10-bromo-2-(3,4-dimethoxyphenyl)-2-(p-tolylthio)capronitrile Formula: C25H32BrNO2S MolecularWeight: 490.49608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCCCCCCBr)(C#N)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCCCCCBr)(C#N)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C25H32BrNO2S/c1-20-10-13-22(14-11-20)30-25(19-27,16-8-6-4-5-7-9-17-26)21-12-15-23(28-2)24(18-21)29-3/h10-15,18H,4-9,16-17H2,1-3H3