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

Systemtic Name: 2,2-dimethyl-4-[(6-oxidanylidene-1H-pyridazin-3-yl)sulfanyl]-1,3-benzoxazine-6-carbonitrile Openeye Name: 2,2-dimethyl-4-[(6-oxo-1H-pyridazin-3-yl)sulfanyl]-1,3-benzoxazine-6-carbonitrile CAS Name: 2,2-dimethyl-4-[(6-oxo-1H-pyridazin-3-yl)thio]-1,3-benzoxazine-6-carbonitrile IUPAC Name: 2,2-dimethyl-4-[(6-oxo-1H-pyridazin-3-yl)sulfanyl]-1,3-benzoxazine-6-carbonitrile Traditional Name: 4-[(6-keto-1H-pyridazin-3-yl)thio]-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile Formula: C15H12N4O2S MolecularWeight: 312.34638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O2S/c1-15(2)17-14(22-13-6-5-12(20)18-19-13)10-7-9(8-16)3-4-11(10)21-15/h3-7H,1-2H3,(H,18,20)