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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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