3,4-bis(decylsulfanyl)benzenecarbonitrile

Systemtic Name: 3,4-bis(decylsulfanyl)benzenecarbonitrile Openeye Name: 3,4-bis(decylsulfanyl)benzonitrile CAS Name: 3,4-bis(decylthio)benzonitrile IUPAC Name: 3,4-bis(decylsulfanyl)benzonitrile Traditional Name: 3,4-bis(decylthio)benzonitrile Formula: C27H45NS2 MolecularWeight: 447.7829

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=C(C=C(C=C1)C#N)SCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCSC1=C(C=C(C=C1)C#N)SCCCCCCCCCC

InChI

InChI=1S/C27H45NS2/c1-3-5-7-9-11-13-15-17-21-29-26-20-19-25(24-28)23-27(26)30-22-18-16-14-12-10-8-6-4-2/h19-20,23H,3-18,21-22H2,1-2H3