2-heptyl-5-(5-pentyl-1,3-dithian-2-yl)benzenecarbonitrile

Systemtic Name: 2-heptyl-5-(5-pentyl-1,3-dithian-2-yl)benzenecarbonitrile Openeye Name: 2-heptyl-5-(5-pentyl-1,3-dithian-2-yl)benzonitrile CAS Name: 2-heptyl-5-(5-pentyl-1,3-dithian-2-yl)benzonitrile IUPAC Name: 2-heptyl-5-(5-pentyl-1,3-dithian-2-yl)benzonitrile Traditional Name: 5-(5-amyl-1,3-dithian-2-yl)-2-heptyl-benzonitrile Formula: C23H35NS2 MolecularWeight: 389.6607

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1)C2SCC(CS2)CCCCC)C#N

Isomeric SMILES

CCCCCCCC1=C(C=C(C=C1)C2SCC(CS2)CCCCC)C#N

InChI

InChI=1S/C23H35NS2/c1-3-5-7-8-10-12-20-13-14-21(15-22(20)16-24)23-25-17-19(18-26-23)11-9-6-4-2/h13-15,19,23H,3-12,17-18H2,1-2H3