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

Systemtic Name: 1-heptyl-4-[4-[4-(5-propyl-1,3-dithian-2-yl)phenyl]phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-heptyl-4-[4-[4-(5-propyl-1,3-dithian-2-yl)phenyl]phenyl]cyclohexanecarbonitrile CAS Name: 1-heptyl-4-[4-[4-(5-propyl-1,3-dithian-2-yl)phenyl]phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-heptyl-4-[4-[4-(5-propyl-1,3-dithian-2-yl)phenyl]phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-heptyl-4-[4-[4-(5-propyl-1,3-dithian-2-yl)phenyl]phenyl]cyclohexanecarbonitrile Formula: C33H45NS2 MolecularWeight: 519.8471

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4SCC(CS4)CCC)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4SCC(CS4)CCC)C#N

InChI

InChI=1S/C33H45NS2/c1-3-5-6-7-8-20-33(25-34)21-18-30(19-22-33)29-12-10-27(11-13-29)28-14-16-31(17-15-28)32-35-23-26(9-4-2)24-36-32/h10-17,26,30,32H,3-9,18-24H2,1-2H3