(4E)-4-[(tert-butylamino)-sulfanyl-methylidene]-2,2-dimethyl-3-oxidanylidene-chromene-6-carbonitrile

Systemtic Name: (4E)-4-[(tert-butylamino)-sulfanyl-methylidene]-2,2-dimethyl-3-oxidanylidene-chromene-6-carbonitrile Openeye Name: (4E)-4-[(tert-butylamino)-sulfanyl-methylene]-2,2-dimethyl-3-oxo-chromane-6-carbonitrile CAS Name: (4E)-4-[(tert-butylamino)-mercaptomethylidene]-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (4E)-4-[(tert-butylamino)-sulfanylmethylidene]-2,2-dimethyl-3-oxochromene-6-carbonitrile Traditional Name: (4E)-4-[(tert-butylamino)-mercapto-methylene]-3-keto-2,2-dimethyl-chroman-6-carbonitrile Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C(=C(NC(C)(C)C)S)C2=C(O1)C=CC(=C2)C#N)C

Isomeric SMILES

CC1(C(=O)/C(=C(\NC(C)(C)C)/S)/C2=C(O1)C=CC(=C2)C#N)C

InChI

InChI=1S/C17H20N2O2S/c1-16(2,3)19-15(22)13-11-8-10(9-18)6-7-12(11)21-17(4,5)14(13)20/h6-8,19,22H,1-5H3/b15-13+