2-[[2-(tert-butylamino)-4,4-dimethyl-3-oxidanylidene-pentyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[2-(tert-butylamino)-4,4-dimethyl-3-oxidanylidene-pentyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[2-(tert-butylamino)-4,4-dimethyl-3-oxo-pentyl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[2-(tert-butylamino)-4,4-dimethyl-3-oxopentyl]thio]methyl]benzonitrile IUPAC Name: 2-[[2-(tert-butylamino)-4,4-dimethyl-3-oxopentyl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[2-(tert-butylamino)-3-keto-4,4-dimethyl-pentyl]thio]methyl]benzonitrile Formula: C19H28N2OS MolecularWeight: 332.50342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(CSCC1=CC=CC=C1C#N)NC(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)C(CSCC1=CC=CC=C1C#N)NC(C)(C)C

InChI

InChI=1S/C19H28N2OS/c1-18(2,3)17(22)16(21-19(4,5)6)13-23-12-15-10-8-7-9-14(15)11-20/h7-10,16,21H,12-13H2,1-6H3