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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C(\C)/CO)/CC1C=C(C2=CC=CC=C2S1)C#N

InChI

InChI=1S/C16H17NOS/c1-11(12(2)10-18)7-14-8-13(9-17)15-5-3-4-6-16(15)19-14/h3-6,8,14,18H,7,10H2,1-2H3/b12-11-