4-(5-azanyl-4-methylsulfonyl-6-oxidanylidene-pyridazin-1-yl)-5-fluoranyl-2-methyl-benzenecarbonitrile

Systemtic Name: 4-(5-azanyl-4-methylsulfonyl-6-oxidanylidene-pyridazin-1-yl)-5-fluoranyl-2-methyl-benzenecarbonitrile Openeye Name: 4-(5-amino-4-methylsulfonyl-6-oxo-pyridazin-1-yl)-5-fluoro-2-methyl-benzonitrile CAS Name: 4-(5-amino-4-methylsulfonyl-6-oxo-1-pyridazinyl)-5-fluoro-2-methylbenzonitrile IUPAC Name: 4-(5-amino-4-methylsulfonyl-6-oxopyridazin-1-yl)-5-fluoro-2-methylbenzonitrile Traditional Name: 4-(5-amino-6-keto-4-mesyl-pyridazin-1-yl)-5-fluoro-2-methyl-benzonitrile Formula: C13H11FN4O3S MolecularWeight: 322.314843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C#N)F)N2C(=O)C(=C(C=N2)S(=O)(=O)C)N

Isomeric SMILES

CC1=CC(=C(C=C1C#N)F)N2C(=O)C(=C(C=N2)S(=O)(=O)C)N

InChI

InChI=1S/C13H11FN4O3S/c1-7-3-10(9(14)4-8(7)5-15)18-13(19)12(16)11(6-17-18)22(2,20)21/h3-4,6H,16H2,1-2H3