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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CSCS1)C(C)(C)C)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC1(C(CSCS1)C(C)(C)C)C2=CC=C(C=C2)C#N

InChI

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