2-[2-[(1S,6R)-3,4-dibutyl-6-methyl-cyclohex-3-en-1-yl]-1-thiophen-2-yl-ethyl]propanedinitrile

Systemtic Name: 2-[2-[(1S,6R)-3,4-dibutyl-6-methyl-cyclohex-3-en-1-yl]-1-thiophen-2-yl-ethyl]propanedinitrile Openeye Name: 2-[2-[(1S,6R)-3,4-dibutyl-6-methyl-cyclohex-3-en-1-yl]-1-(2-thienyl)ethyl]propanedinitrile CAS Name: 2-[2-[(1S,6R)-3,4-dibutyl-6-methyl-1-cyclohex-3-enyl]-1-thiophen-2-ylethyl]propanedinitrile IUPAC Name: 2-[2-[(1S,6R)-3,4-dibutyl-6-methylcyclohex-3-en-1-yl]-1-thiophen-2-ylethyl]propanedinitrile Traditional Name: 2-[2-[(1S,6R)-3,4-dibutyl-6-methyl-cyclohex-3-en-1-yl]-1-(2-thienyl)ethyl]malononitrile Formula: C24H34N2S MolecularWeight: 382.60516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(CC(C(C1)C)CC(C2=CC=CS2)C(C#N)C#N)CCCC

Isomeric SMILES

CCCCC1=C(C[C@@H]([C@@H](C1)C)CC(C2=CC=CS2)C(C#N)C#N)CCCC

InChI

InChI=1S/C24H34N2S/c1-4-6-9-19-13-18(3)21(14-20(19)10-7-5-2)15-23(22(16-25)17-26)24-11-8-12-27-24/h8,11-12,18,21-23H,4-7,9-10,13-15H2,1-3H3/t18-,21-,23?/m1/s1