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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4SCC(CS4)CCC)C#N

Isomeric SMILES

CCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4SCC(CS4)CCC)C#N

InChI

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