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

Systemtic Name: 2-ethyl-5-(5-pentyl-1,3-dithian-2-yl)benzenecarbonitrile Openeye Name: 2-ethyl-5-(5-pentyl-1,3-dithian-2-yl)benzonitrile CAS Name: 2-ethyl-5-(5-pentyl-1,3-dithian-2-yl)benzonitrile IUPAC Name: 2-ethyl-5-(5-pentyl-1,3-dithian-2-yl)benzonitrile Traditional Name: 5-(5-amyl-1,3-dithian-2-yl)-2-ethyl-benzonitrile Formula: C18H25NS2 MolecularWeight: 319.5278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CSC(SC1)C2=CC(=C(C=C2)CC)C#N

Isomeric SMILES

CCCCCC1CSC(SC1)C2=CC(=C(C=C2)CC)C#N

InChI

InChI=1S/C18H25NS2/c1-3-5-6-7-14-12-20-18(21-13-14)16-9-8-15(4-2)17(10-16)11-19/h8-10,14,18H,3-7,12-13H2,1-2H3