5-hexylsulfanyl-3-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]benzene-1,2-dicarbonitrile

Systemtic Name: 5-hexylsulfanyl-3-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]benzene-1,2-dicarbonitrile Openeye Name: 5-hexylsulfanyl-3-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]phthalonitrile CAS Name: 5-(hexylthio)-3-[(5-phenyl-1H-imidazol-2-yl)thio]benzene-1,2-dicarbonitrile IUPAC Name: 5-hexylsulfanyl-3-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]benzene-1,2-dicarbonitrile Traditional Name: 5-(hexylthio)-3-[(5-phenyl-1H-imidazol-2-yl)thio]phthalonitrile Formula: C23H22N4S2 MolecularWeight: 418.57758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=CC(=C(C(=C1)C#N)C#N)SC2=NC=C(N2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCSC1=CC(=C(C(=C1)C#N)C#N)SC2=NC=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C23H22N4S2/c1-2-3-4-8-11-28-19-12-18(14-24)20(15-25)22(13-19)29-23-26-16-21(27-23)17-9-6-5-7-10-17/h5-7,9-10,12-13,16H,2-4,8,11H2,1H3,(H,26,27)