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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4SCC(CS4)CC)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4SCC(CS4)CC)C#N

InChI

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