N-tert-butyl-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-4-carbothioamide

Systemtic Name: N-tert-butyl-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-4-carbothioamide Openeye Name: N-tert-butyl-6-cyano-3-hydroxy-2,2-dimethyl-chromane-4-carbothioamide CAS Name: N-tert-butyl-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-carbothioamide IUPAC Name: N-tert-butyl-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-4-carbothioamide Traditional Name: N-tert-butyl-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-carbothioamide Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O2S/c1-16(2,3)19-15(22)13-11-8-10(9-18)6-7-12(11)21-17(4,5)14(13)20/h6-8,13-14,20H,1-5H3,(H,19,22)