4-(5-tert-butyl-2-methyl-1,3-dithian-2-yl)benzenecarbonitrile

Systemtic Name: 4-(5-tert-butyl-2-methyl-1,3-dithian-2-yl)benzenecarbonitrile Openeye Name: 4-(5-tert-butyl-2-methyl-1,3-dithian-2-yl)benzonitrile CAS Name: 4-(5-tert-butyl-2-methyl-1,3-dithian-2-yl)benzonitrile IUPAC Name: 4-(5-tert-butyl-2-methyl-1,3-dithian-2-yl)benzonitrile Traditional Name: 4-(5-tert-butyl-2-methyl-1,3-dithian-2-yl)benzonitrile Formula: C16H21NS2 MolecularWeight: 291.47464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(SCC(CS1)C(C)(C)C)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC1(SCC(CS1)C(C)(C)C)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H21NS2/c1-15(2,3)14-10-18-16(4,19-11-14)13-7-5-12(9-17)6-8-13/h5-8,14H,10-11H2,1-4H3