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

Systemtic Name: 4-[4-[4-(5-ethyl-1,3-dithian-2-yl)phenyl]phenyl]-1-pentyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-[4-(5-ethyl-1,3-dithian-2-yl)phenyl]phenyl]-1-pentyl-cyclohexanecarbonitrile CAS Name: 4-[4-[4-(5-ethyl-1,3-dithian-2-yl)phenyl]phenyl]-1-pentyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-[4-(5-ethyl-1,3-dithian-2-yl)phenyl]phenyl]-1-pentylcyclohexane-1-carbonitrile Traditional Name: 1-amyl-4-[4-[4-(5-ethyl-1,3-dithian-2-yl)phenyl]phenyl]cyclohexanecarbonitrile Formula: C30H39NS2 MolecularWeight: 477.76736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4SCC(CS4)CC)C#N

Isomeric SMILES

CCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4SCC(CS4)CC)C#N

InChI

InChI=1S/C30H39NS2/c1-3-5-6-17-30(22-31)18-15-27(16-19-30)26-9-7-24(8-10-26)25-11-13-28(14-12-25)29-32-20-23(4-2)21-33-29/h7-14,23,27,29H,3-6,15-21H2,1-2H3