2-(4-bromophenyl)-5-tert-butyl-1,3-dithiane-2-carbonitrile

Systemtic Name: 2-(4-bromophenyl)-5-tert-butyl-1,3-dithiane-2-carbonitrile Openeye Name: 2-(4-bromophenyl)-5-tert-butyl-1,3-dithiane-2-carbonitrile CAS Name: 2-(4-bromophenyl)-5-tert-butyl-1,3-dithiane-2-carbonitrile IUPAC Name: 2-(4-bromophenyl)-5-tert-butyl-1,3-dithiane-2-carbonitrile Traditional Name: 2-(4-bromophenyl)-5-tert-butyl-1,3-dithiane-2-carbonitrile Formula: C15H18BrNS2 MolecularWeight: 356.34412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CSC(SC1)(C#N)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)C1CSC(SC1)(C#N)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H18BrNS2/c1-14(2,3)12-8-18-15(10-17,19-9-12)11-4-6-13(16)7-5-11/h4-7,12H,8-9H2,1-3H3