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

Systemtic Name: 2-butyl-5-(5-pentyl-1,3-dithian-2-yl)benzenecarbonitrile Openeye Name: 2-butyl-5-(5-pentyl-1,3-dithian-2-yl)benzonitrile CAS Name: 2-butyl-5-(5-pentyl-1,3-dithian-2-yl)benzonitrile IUPAC Name: 2-butyl-5-(5-pentyl-1,3-dithian-2-yl)benzonitrile Traditional Name: 5-(5-amyl-1,3-dithian-2-yl)-2-butyl-benzonitrile Formula: C20H29NS2 MolecularWeight: 347.58096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NS2/c1-3-5-7-8-16-14-22-20(23-15-16)18-11-10-17(9-6-4-2)19(12-18)13-21/h10-12,16,20H,3-9,14-15H2,1-2H3