7-bromanyl-2-cyclohexylsulfanyl-2-(3,4-dimethoxyphenyl)heptanenitrile

Systemtic Name: 7-bromanyl-2-cyclohexylsulfanyl-2-(3,4-dimethoxyphenyl)heptanenitrile Openeye Name: 7-bromo-2-cyclohexylsulfanyl-2-(3,4-dimethoxyphenyl)heptanenitrile CAS Name: 7-bromo-2-(cyclohexylthio)-2-(3,4-dimethoxyphenyl)heptanenitrile IUPAC Name: 7-bromo-2-cyclohexylsulfanyl-2-(3,4-dimethoxyphenyl)heptanenitrile Traditional Name: 7-bromo-2-(cyclohexylthio)-2-(3,4-dimethoxyphenyl)enanthonitrile Formula: C21H30BrNO2S MolecularWeight: 440.4374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCCCCBr)(C#N)SC2CCCCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CCCCCBr)(C#N)SC2CCCCC2)OC

InChI

InChI=1S/C21H30BrNO2S/c1-24-19-12-11-17(15-20(19)25-2)21(16-23,13-7-4-8-14-22)26-18-9-5-3-6-10-18/h11-12,15,18H,3-10,13-14H2,1-2H3