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

Systemtic Name: 1-butyl-4-[4-[4-(5-pentyl-1,3-dithian-2-yl)phenyl]phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-butyl-4-[4-[4-(5-pentyl-1,3-dithian-2-yl)phenyl]phenyl]cyclohexanecarbonitrile CAS Name: 1-butyl-4-[4-[4-(5-pentyl-1,3-dithian-2-yl)phenyl]phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-butyl-4-[4-[4-(5-pentyl-1,3-dithian-2-yl)phenyl]phenyl]cyclohexane-1-carbonitrile Traditional Name: 4-[4-[4-(5-amyl-1,3-dithian-2-yl)phenyl]phenyl]-1-butyl-cyclohexanecarbonitrile Formula: C32H43NS2 MolecularWeight: 505.82052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CSC(SC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)(CCCC)C#N

Isomeric SMILES

CCCCCC1CSC(SC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)(CCCC)C#N

InChI

InChI=1S/C32H43NS2/c1-3-5-7-8-25-22-34-31(35-23-25)30-15-13-27(14-16-30)26-9-11-28(12-10-26)29-17-20-32(24-33,21-18-29)19-6-4-2/h9-16,25,29,31H,3-8,17-23H2,1-2H3