4-(5-butyl-1,3-dithian-2-yl)-1-heptyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-(5-butyl-1,3-dithian-2-yl)-1-heptyl-cyclohexane-1-carbonitrile Openeye Name: 4-(5-butyl-1,3-dithian-2-yl)-1-heptyl-cyclohexanecarbonitrile CAS Name: 4-(5-butyl-1,3-dithian-2-yl)-1-heptyl-1-cyclohexanecarbonitrile IUPAC Name: 4-(5-butyl-1,3-dithian-2-yl)-1-heptylcyclohexane-1-carbonitrile Traditional Name: 4-(5-butyl-1,3-dithian-2-yl)-1-heptyl-cyclohexanecarbonitrile Formula: C22H39NS2 MolecularWeight: 381.68176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)C2SCC(CS2)CCCC)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)C2SCC(CS2)CCCC)C#N

InChI

InChI=1S/C22H39NS2/c1-3-5-7-8-9-13-22(18-23)14-11-20(12-15-22)21-24-16-19(17-25-21)10-6-4-2/h19-21H,3-17H2,1-2H3