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

Systemtic Name: 1-butyl-4-[4-[4-(5-ethyl-1,3-dithian-2-yl)phenyl]phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-butyl-4-[4-[4-(5-ethyl-1,3-dithian-2-yl)phenyl]phenyl]cyclohexanecarbonitrile CAS Name: 1-butyl-4-[4-[4-(5-ethyl-1,3-dithian-2-yl)phenyl]phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-butyl-4-[4-[4-(5-ethyl-1,3-dithian-2-yl)phenyl]phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-butyl-4-[4-[4-(5-ethyl-1,3-dithian-2-yl)phenyl]phenyl]cyclohexanecarbonitrile Formula: C29H37NS2 MolecularWeight: 463.74078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4SCC(CS4)CC)C#N

Isomeric SMILES

CCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4SCC(CS4)CC)C#N

InChI

InChI=1S/C29H37NS2/c1-3-5-16-29(21-30)17-14-26(15-18-29)25-8-6-23(7-9-25)24-10-12-27(13-11-24)28-31-19-22(4-2)20-32-28/h6-13,22,26,28H,3-5,14-20H2,1-2H3