3-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]-5-dodecylsulfanyl-benzene-1,2-dicarbonitrile

Systemtic Name: 3-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]-5-dodecylsulfanyl-benzene-1,2-dicarbonitrile Openeye Name: 3-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]-5-dodecylsulfanyl-phthalonitrile CAS Name: 3-[(4,5-dimethyl-1H-imidazol-2-yl)thio]-5-(dodecylthio)benzene-1,2-dicarbonitrile IUPAC Name: 3-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]-5-dodecylsulfanylbenzene-1,2-dicarbonitrile Traditional Name: 3-[(4,5-dimethyl-1H-imidazol-2-yl)thio]-5-(laurylthio)phthalonitrile Formula: C25H34N4S2 MolecularWeight: 454.69426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=CC(=C(C(=C1)C#N)C#N)SC2=NC(=C(N2)C)C

Isomeric SMILES

CCCCCCCCCCCCSC1=CC(=C(C(=C1)C#N)C#N)SC2=NC(=C(N2)C)C

InChI

InChI=1S/C25H34N4S2/c1-4-5-6-7-8-9-10-11-12-13-14-30-22-15-21(17-26)23(18-27)24(16-22)31-25-28-19(2)20(3)29-25/h15-16H,4-14H2,1-3H3,(H,28,29)