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

Systemtic Name: 1-pentyl-4-[4-(5-pentyl-1,3-dithian-2-yl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-pentyl-4-[4-(5-pentyl-1,3-dithian-2-yl)phenyl]cyclohexanecarbonitrile CAS Name: 1-pentyl-4-[4-(5-pentyl-1,3-dithian-2-yl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-pentyl-4-[4-(5-pentyl-1,3-dithian-2-yl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-amyl-4-[4-(5-amyl-1,3-dithian-2-yl)phenyl]cyclohexanecarbonitrile Formula: C27H41NS2 MolecularWeight: 443.75114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CSC(SC1)C2=CC=C(C=C2)C3CCC(CC3)(CCCCC)C#N

Isomeric SMILES

CCCCCC1CSC(SC1)C2=CC=C(C=C2)C3CCC(CC3)(CCCCC)C#N

InChI

InChI=1S/C27H41NS2/c1-3-5-7-9-22-19-29-26(30-20-22)25-12-10-23(11-13-25)24-14-17-27(21-28,18-15-24)16-8-6-4-2/h10-13,22,24,26H,3-9,14-20H2,1-2H3