5-azanyl-1-(1-tert-butyl-6-oxidanylidene-pyridazin-4-yl)-3-methylsulfanyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-(1-tert-butyl-6-oxidanylidene-pyridazin-4-yl)-3-methylsulfanyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(1-tert-butyl-6-oxo-pyridazin-4-yl)-3-methylsulfanyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-(1-tert-butyl-6-oxo-4-pyridazinyl)-3-(methylthio)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(1-tert-butyl-6-oxopyridazin-4-yl)-3-methylsulfanylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-(1-tert-butyl-6-keto-pyridazin-4-yl)-3-(methylthio)pyrazole-4-carbonitrile Formula: C13H16N6OS MolecularWeight: 304.37074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C=C(C=N1)N2C(=C(C(=N2)SC)C#N)N

Isomeric SMILES

CC(C)(C)N1C(=O)C=C(C=N1)N2C(=C(C(=N2)SC)C#N)N

InChI

InChI=1S/C13H16N6OS/c1-13(2,3)19-10(20)5-8(7-16-19)18-11(15)9(6-14)12(17-18)21-4/h5,7H,15H2,1-4H3