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

Systemtic Name: 6-cyano-2,2-dimethyl-3-oxidanyl-N-phenyl-3,4-dihydrochromene-4-carbothioamide Openeye Name: 6-cyano-3-hydroxy-2,2-dimethyl-N-phenyl-chromane-4-carbothioamide CAS Name: 6-cyano-3-hydroxy-2,2-dimethyl-N-phenyl-3,4-dihydro-2H-1-benzopyran-4-carbothioamide IUPAC Name: 6-cyano-3-hydroxy-2,2-dimethyl-N-phenyl-3,4-dihydrochromene-4-carbothioamide Traditional Name: 6-cyano-3-hydroxy-2,2-dimethyl-N-phenyl-chroman-4-carbothioamide Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)C(=S)NC3=CC=CC=C3)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)C(=S)NC3=CC=CC=C3)O)C

InChI

InChI=1S/C19H18N2O2S/c1-19(2)17(22)16(18(24)21-13-6-4-3-5-7-13)14-10-12(11-20)8-9-15(14)23-19/h3-10,16-17,22H,1-2H3,(H,21,24)