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

Systemtic Name: 2,2-dimethyl-3-oxidanyl-4-[(6-oxidanylidene-1H-pyridazin-3-yl)sulfanyl]-3,4-dihydrochromene-6-carbonitrile Openeye Name: 3-hydroxy-2,2-dimethyl-4-[(6-oxo-1H-pyridazin-3-yl)sulfanyl]chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2-dimethyl-4-[(6-oxo-1H-pyridazin-3-yl)thio]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2-dimethyl-4-[(6-oxo-1H-pyridazin-3-yl)sulfanyl]-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-4-[(6-keto-1H-pyridazin-3-yl)thio]-2,2-dimethyl-chroman-6-carbonitrile Formula: C16H15N3O3S MolecularWeight: 329.3736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S/c1-16(2)15(21)14(23-13-6-5-12(20)18-19-13)10-7-9(8-17)3-4-11(10)22-16/h3-7,14-15,21H,1-2H3,(H,18,20)