2-(5-bromanyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)-2-(phenylsulfonyl)ethanenitrile

Systemtic Name: 2-(5-bromanyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)-2-(phenylsulfonyl)ethanenitrile Openeye Name: 2-(benzenesulfonyl)-2-(5-bromo-6-oxo-1-phenyl-pyridazin-4-yl)acetonitrile CAS Name: 2-(benzenesulfonyl)-2-(5-bromo-6-oxo-1-phenyl-4-pyridazinyl)acetonitrile IUPAC Name: 2-(benzenesulfonyl)-2-(5-bromo-6-oxo-1-phenylpyridazin-4-yl)acetonitrile Traditional Name: 2-besyl-2-(5-bromo-6-keto-1-phenyl-pyridazin-4-yl)acetonitrile Formula: C18H12BrN3O3S MolecularWeight: 430.27518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)C(C#N)S(=O)(=O)C3=CC=CC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)C(C#N)S(=O)(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C18H12BrN3O3S/c19-17-15(12-21-22(18(17)23)13-7-3-1-4-8-13)16(11-20)26(24,25)14-9-5-2-6-10-14/h1-10,12,16H