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

Systemtic Name: 5-(5-pentyl-1,3-dithian-2-yl)-2-propyl-benzenecarbonitrile Openeye Name: 5-(5-pentyl-1,3-dithian-2-yl)-2-propyl-benzonitrile CAS Name: 5-(5-pentyl-1,3-dithian-2-yl)-2-propylbenzonitrile IUPAC Name: 5-(5-pentyl-1,3-dithian-2-yl)-2-propylbenzonitrile Traditional Name: 5-(5-amyl-1,3-dithian-2-yl)-2-propyl-benzonitrile Formula: C19H27NS2 MolecularWeight: 333.55438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NS2/c1-3-5-6-8-15-13-21-19(22-14-15)17-10-9-16(7-4-2)18(11-17)12-20/h9-11,15,19H,3-8,13-14H2,1-2H3