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

Systemtic Name: 4-[4-[4-(5-ethyl-1,3-dithian-2-yl)phenyl]phenyl]-1-propyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-[4-(5-ethyl-1,3-dithian-2-yl)phenyl]phenyl]-1-propyl-cyclohexanecarbonitrile CAS Name: 4-[4-[4-(5-ethyl-1,3-dithian-2-yl)phenyl]phenyl]-1-propyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-[4-(5-ethyl-1,3-dithian-2-yl)phenyl]phenyl]-1-propylcyclohexane-1-carbonitrile Traditional Name: 4-[4-[4-(5-ethyl-1,3-dithian-2-yl)phenyl]phenyl]-1-propyl-cyclohexanecarbonitrile Formula: C28H35NS2 MolecularWeight: 449.7142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4SCC(CS4)CC)C#N

Isomeric SMILES

CCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4SCC(CS4)CC)C#N

InChI

InChI=1S/C28H35NS2/c1-3-15-28(20-29)16-13-25(14-17-28)24-7-5-22(6-8-24)23-9-11-26(12-10-23)27-30-18-21(4-2)19-31-27/h5-12,21,25,27H,3-4,13-19H2,1-2H3