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

Systemtic Name: 4-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-1-heptyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-1-heptyl-cyclohexanecarbonitrile CAS Name: 4-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-1-heptyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-1-heptylcyclohexane-1-carbonitrile Traditional Name: 4-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-1-heptyl-cyclohexanecarbonitrile Formula: C34H47NS2 MolecularWeight: 533.87368

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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)CCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C34H47NS2/c1-3-5-7-8-9-21-34(26-35)22-19-31(20-23-34)30-13-11-28(12-14-30)29-15-17-32(18-16-29)33-36-24-27(25-37-33)10-6-4-2/h11-18,27,31,33H,3-10,19-25H2,1-2H3