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

Systemtic Name: 4-[4-[4-(5-pentyl-1,3-dithian-2-yl)phenyl]phenyl]-1-propyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-[4-(5-pentyl-1,3-dithian-2-yl)phenyl]phenyl]-1-propyl-cyclohexanecarbonitrile CAS Name: 4-[4-[4-(5-pentyl-1,3-dithian-2-yl)phenyl]phenyl]-1-propyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-[4-(5-pentyl-1,3-dithian-2-yl)phenyl]phenyl]-1-propylcyclohexane-1-carbonitrile Traditional Name: 4-[4-[4-(5-amyl-1,3-dithian-2-yl)phenyl]phenyl]-1-propyl-cyclohexanecarbonitrile Formula: C31H41NS2 MolecularWeight: 491.79394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CSC(SC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)(CCC)C#N

Isomeric SMILES

CCCCCC1CSC(SC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)(CCC)C#N

InChI

InChI=1S/C31H41NS2/c1-3-5-6-7-24-21-33-30(34-22-24)29-14-12-26(13-15-29)25-8-10-27(11-9-25)28-16-19-31(23-32,18-4-2)20-17-28/h8-15,24,28,30H,3-7,16-22H2,1-2H3