13-bromanyl-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-tridecanenitrile

Systemtic Name: 13-bromanyl-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-tridecanenitrile Openeye Name: 13-bromo-2-(3,4-dimethoxyphenyl)-2-(p-tolylsulfanyl)tridecanenitrile CAS Name: 13-bromo-2-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)thio]tridecanenitrile IUPAC Name: 13-bromo-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyltridecanenitrile Traditional Name: 13-bromo-2-(3,4-dimethoxyphenyl)-2-(p-tolylthio)tridecanenitrile Formula: C28H38BrNO2S MolecularWeight: 532.57582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38BrNO2S/c1-23-13-16-25(17-14-23)33-28(22-30,24-15-18-26(31-2)27(21-24)32-3)19-11-9-7-5-4-6-8-10-12-20-29/h13-18,21H,4-12,19-20H2,1-3H3