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

Systemtic Name: 1-butyl-4-[4-[4-(5-heptyl-1,3-dithian-2-yl)phenyl]phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-butyl-4-[4-[4-(5-heptyl-1,3-dithian-2-yl)phenyl]phenyl]cyclohexanecarbonitrile CAS Name: 1-butyl-4-[4-[4-(5-heptyl-1,3-dithian-2-yl)phenyl]phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-butyl-4-[4-[4-(5-heptyl-1,3-dithian-2-yl)phenyl]phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-butyl-4-[4-[4-(5-heptyl-1,3-dithian-2-yl)phenyl]phenyl]cyclohexanecarbonitrile Formula: C34H47NS2 MolecularWeight: 533.87368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CSC(SC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)(CCCC)C#N

Isomeric SMILES

CCCCCCCC1CSC(SC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)(CCCC)C#N

InChI

InChI=1S/C34H47NS2/c1-3-5-7-8-9-10-27-24-36-33(37-25-27)32-17-15-29(16-18-32)28-11-13-30(14-12-28)31-19-22-34(26-35,23-20-31)21-6-4-2/h11-18,27,31,33H,3-10,19-25H2,1-2H3