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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(SCCC(S1)C(C)(C)C)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC1(SCCC(S1)C(C)(C)C)C2=CC=C(C=C2)C#N

InChI

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