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

Systemtic Name: 4-[4-(5-pentyl-1,3-dithian-2-yl)phenyl]-1-propyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-(5-pentyl-1,3-dithian-2-yl)phenyl]-1-propyl-cyclohexanecarbonitrile CAS Name: 4-[4-(5-pentyl-1,3-dithian-2-yl)phenyl]-1-propyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(5-pentyl-1,3-dithian-2-yl)phenyl]-1-propylcyclohexane-1-carbonitrile Traditional Name: 4-[4-(5-amyl-1,3-dithian-2-yl)phenyl]-1-propyl-cyclohexanecarbonitrile Formula: C25H37NS2 MolecularWeight: 415.69798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CSC(SC1)C2=CC=C(C=C2)C3CCC(CC3)(CCC)C#N

Isomeric SMILES

CCCCCC1CSC(SC1)C2=CC=C(C=C2)C3CCC(CC3)(CCC)C#N

InChI

InChI=1S/C25H37NS2/c1-3-5-6-7-20-17-27-24(28-18-20)23-10-8-21(9-11-23)22-12-15-25(19-26,14-4-2)16-13-22/h8-11,20,22,24H,3-7,12-18H2,1-2H3