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

Systemtic Name: 4-(5-ethyl-1,3-dithian-2-yl)-1-pentyl-cyclohexane-1-carbonitrile Openeye Name: 4-(5-ethyl-1,3-dithian-2-yl)-1-pentyl-cyclohexanecarbonitrile CAS Name: 4-(5-ethyl-1,3-dithian-2-yl)-1-pentyl-1-cyclohexanecarbonitrile IUPAC Name: 4-(5-ethyl-1,3-dithian-2-yl)-1-pentylcyclohexane-1-carbonitrile Traditional Name: 1-amyl-4-(5-ethyl-1,3-dithian-2-yl)cyclohexanecarbonitrile Formula: C18H31NS2 MolecularWeight: 325.57544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCC(CC1)C2SCC(CS2)CC)C#N

Isomeric SMILES

CCCCCC1(CCC(CC1)C2SCC(CS2)CC)C#N

InChI

InChI=1S/C18H31NS2/c1-3-5-6-9-18(14-19)10-7-16(8-11-18)17-20-12-15(4-2)13-21-17/h15-17H,3-13H2,1-2H3