2,2,3-trimethyl-3-oxidanyl-4-[(2-oxidanylidene-1H-pyridin-4-yl)sulfanyl]-4H-chromene-6-carbonitrile

Systemtic Name: 2,2,3-trimethyl-3-oxidanyl-4-[(2-oxidanylidene-1H-pyridin-4-yl)sulfanyl]-4H-chromene-6-carbonitrile Openeye Name: 3-hydroxy-2,2,3-trimethyl-4-[(2-oxo-1H-pyridin-4-yl)sulfanyl]chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2,3-trimethyl-4-[(2-oxo-1H-pyridin-4-yl)thio]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2,3-trimethyl-4-[(2-oxo-1H-pyridin-4-yl)sulfanyl]-4H-chromene-6-carbonitrile Traditional Name: 3-hydroxy-4-[(2-keto-1H-pyridin-4-yl)thio]-2,2,3-trimethyl-chroman-6-carbonitrile Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)SC3=CC(=O)NC=C3)(C)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)SC3=CC(=O)NC=C3)(C)O)C

InChI

InChI=1S/C18H18N2O3S/c1-17(2)18(3,22)16(24-12-6-7-20-15(21)9-12)13-8-11(10-19)4-5-14(13)23-17/h4-9,16,22H,1-3H3,(H,20,21)