2-(2,3-dimethyl-2-oxidanyl-but-3-enyl)-2H-thiochromene-4-carbonitrile

Systemtic Name: 2-(2,3-dimethyl-2-oxidanyl-but-3-enyl)-2H-thiochromene-4-carbonitrile Openeye Name: 2-(2-hydroxy-2,3-dimethyl-but-3-enyl)-2H-thiochromene-4-carbonitrile CAS Name: 2-(2-hydroxy-2,3-dimethylbut-3-enyl)-2H-1-benzothiopyran-4-carbonitrile IUPAC Name: 2-(2-hydroxy-2,3-dimethylbut-3-enyl)-2H-thiochromene-4-carbonitrile Traditional Name: 2-(2-hydroxy-2,3-dimethyl-but-3-enyl)-2H-thiochromene-4-carbonitrile Formula: C16H17NOS MolecularWeight: 271.37728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C)(CC1C=C(C2=CC=CC=C2S1)C#N)O

Isomeric SMILES

CC(=C)C(C)(CC1C=C(C2=CC=CC=C2S1)C#N)O

InChI

InChI=1S/C16H17NOS/c1-11(2)16(3,18)9-13-8-12(10-17)14-6-4-5-7-15(14)19-13/h4-8,13,18H,1,9H2,2-3H3