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

Systemtic Name: 4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]-1-pentyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]-1-pentyl-cyclohexanecarbonitrile CAS Name: 4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]-1-pentyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]-1-pentylcyclohexane-1-carbonitrile Traditional Name: 1-amyl-4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]cyclohexanecarbonitrile Formula: C26H39NS2 MolecularWeight: 429.72456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3SCC(CS3)CCCC)C#N

Isomeric SMILES

CCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3SCC(CS3)CCCC)C#N

InChI

InChI=1S/C26H39NS2/c1-3-5-7-15-26(20-27)16-13-23(14-17-26)22-9-11-24(12-10-22)25-28-18-21(19-29-25)8-6-4-2/h9-12,21,23,25H,3-8,13-19H2,1-2H3