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

Systemtic Name: 2,2,3-trimethyl-3-oxidanyl-4-[(6-oxidanylidene-1H-pyridazin-3-yl)sulfanyl]-4H-chromene-6-carbonitrile Openeye Name: 3-hydroxy-2,2,3-trimethyl-4-[(6-oxo-1H-pyridazin-3-yl)sulfanyl]chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2,3-trimethyl-4-[(6-oxo-1H-pyridazin-3-yl)thio]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2,3-trimethyl-4-[(6-oxo-1H-pyridazin-3-yl)sulfanyl]-4H-chromene-6-carbonitrile Traditional Name: 3-hydroxy-4-[(6-keto-1H-pyridazin-3-yl)thio]-2,2,3-trimethyl-chroman-6-carbonitrile Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3S/c1-16(2)17(3,22)15(24-14-7-6-13(21)19-20-14)11-8-10(9-18)4-5-12(11)23-16/h4-8,15,22H,1-3H3,(H,19,21)