1-butyl-4-[4-(5-heptyl-1,3-dithian-2-yl)phenyl]cyclohexane-1-carbonitrile

Systemtic Name: 1-butyl-4-[4-(5-heptyl-1,3-dithian-2-yl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-butyl-4-[4-(5-heptyl-1,3-dithian-2-yl)phenyl]cyclohexanecarbonitrile CAS Name: 1-butyl-4-[4-(5-heptyl-1,3-dithian-2-yl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-butyl-4-[4-(5-heptyl-1,3-dithian-2-yl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-butyl-4-[4-(5-heptyl-1,3-dithian-2-yl)phenyl]cyclohexanecarbonitrile Formula: C28H43NS2 MolecularWeight: 457.77772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CSC(SC1)C2=CC=C(C=C2)C3CCC(CC3)(CCCC)C#N

Isomeric SMILES

CCCCCCCC1CSC(SC1)C2=CC=C(C=C2)C3CCC(CC3)(CCCC)C#N

InChI

InChI=1S/C28H43NS2/c1-3-5-7-8-9-10-23-20-30-27(31-21-23)26-13-11-24(12-14-26)25-15-18-28(22-29,19-16-25)17-6-4-2/h11-14,23,25,27H,3-10,15-21H2,1-2H3