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

Systemtic Name: 1-pentyl-4-[4-[4-(5-pentyl-1,3-dithian-2-yl)phenyl]phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-pentyl-4-[4-[4-(5-pentyl-1,3-dithian-2-yl)phenyl]phenyl]cyclohexanecarbonitrile CAS Name: 1-pentyl-4-[4-[4-(5-pentyl-1,3-dithian-2-yl)phenyl]phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-pentyl-4-[4-[4-(5-pentyl-1,3-dithian-2-yl)phenyl]phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-amyl-4-[4-[4-(5-amyl-1,3-dithian-2-yl)phenyl]phenyl]cyclohexanecarbonitrile Formula: C33H45NS2 MolecularWeight: 519.8471

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H45NS2/c1-3-5-7-9-26-23-35-32(36-24-26)31-16-14-28(15-17-31)27-10-12-29(13-11-27)30-18-21-33(25-34,22-19-30)20-8-6-4-2/h10-17,26,30,32H,3-9,18-24H2,1-2H3