4-[2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-1,3-dithian-2-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-1,3-dithian-2-yl]benzenecarbonitrile Openeye Name: 4-[2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-1,3-dithian-2-yl]benzonitrile CAS Name: 4-[2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-1,3-dithian-2-yl]benzonitrile IUPAC Name: 4-[2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-1,3-dithian-2-yl]benzonitrile Traditional Name: 4-[2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-1,3-dithian-2-yl]benzonitrile Formula: C21H27NS2 MolecularWeight: 357.57578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCC1(SCCCS1)C2=CC=C(C=C2)C#N)C)C

Isomeric SMILES

CC(=CCC/C(=C\CC1(SCCCS1)C2=CC=C(C=C2)C#N)/C)C

InChI

InChI=1S/C21H27NS2/c1-17(2)6-4-7-18(3)12-13-21(23-14-5-15-24-21)20-10-8-19(16-22)9-11-20/h6,8-12H,4-5,7,13-15H2,1-3H3/b18-12-