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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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