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

Systemtic Name: 1-heptyl-4-[4-[4-(5-heptyl-1,3-dithian-2-yl)phenyl]phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-heptyl-4-[4-[4-(5-heptyl-1,3-dithian-2-yl)phenyl]phenyl]cyclohexanecarbonitrile CAS Name: 1-heptyl-4-[4-[4-(5-heptyl-1,3-dithian-2-yl)phenyl]phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-heptyl-4-[4-[4-(5-heptyl-1,3-dithian-2-yl)phenyl]phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-heptyl-4-[4-[4-(5-heptyl-1,3-dithian-2-yl)phenyl]phenyl]cyclohexanecarbonitrile Formula: C37H53NS2 MolecularWeight: 575.95342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CSC(SC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)(CCCCCCC)C#N

Isomeric SMILES

CCCCCCCC1CSC(SC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)(CCCCCCC)C#N

InChI

InChI=1S/C37H53NS2/c1-3-5-7-9-11-13-30-27-39-36(40-28-30)35-20-18-32(19-21-35)31-14-16-33(17-15-31)34-22-25-37(29-38,26-23-34)24-12-10-8-6-4-2/h14-21,30,34,36H,3-13,22-28H2,1-2H3