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

Systemtic Name: 4-[4-[4-(5-heptyl-1,3-dithian-2-yl)phenyl]phenyl]-1-pentyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-[4-(5-heptyl-1,3-dithian-2-yl)phenyl]phenyl]-1-pentyl-cyclohexanecarbonitrile CAS Name: 4-[4-[4-(5-heptyl-1,3-dithian-2-yl)phenyl]phenyl]-1-pentyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-[4-(5-heptyl-1,3-dithian-2-yl)phenyl]phenyl]-1-pentylcyclohexane-1-carbonitrile Traditional Name: 1-amyl-4-[4-[4-(5-heptyl-1,3-dithian-2-yl)phenyl]phenyl]cyclohexanecarbonitrile Formula: C35H49NS2 MolecularWeight: 547.90026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H49NS2/c1-3-5-7-8-9-11-28-25-37-34(38-26-28)33-18-16-30(17-19-33)29-12-14-31(15-13-29)32-20-23-35(27-36,24-21-32)22-10-6-4-2/h12-19,28,32,34H,3-11,20-26H2,1-2H3