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

Systemtic Name: 4-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-1-propyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-1-propyl-cyclohexanecarbonitrile CAS Name: 4-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-1-propyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-1-propylcyclohexane-1-carbonitrile Traditional Name: 4-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-1-propyl-cyclohexanecarbonitrile Formula: C30H39NS2 MolecularWeight: 477.76736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CSC(SC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)(CCC)C#N

Isomeric SMILES

CCCCC1CSC(SC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)(CCC)C#N

InChI

InChI=1S/C30H39NS2/c1-3-5-6-23-20-32-29(33-21-23)28-13-11-25(12-14-28)24-7-9-26(10-8-24)27-15-18-30(22-31,17-4-2)19-16-27/h7-14,23,27,29H,3-6,15-21H2,1-2H3