2-(1,3-benzothiazol-2-yl)-2-(5-bromanyl-2-methyl-3-oxidanylidene-pyridazin-4-yl)ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-(5-bromanyl-2-methyl-3-oxidanylidene-pyridazin-4-yl)ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-(5-bromo-2-methyl-3-oxo-pyridazin-4-yl)acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-(5-bromo-2-methyl-3-oxo-4-pyridazinyl)acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-(5-bromo-2-methyl-3-oxopyridazin-4-yl)acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-(5-bromo-3-keto-2-methyl-pyridazin-4-yl)acetonitrile Formula: C14H9BrN4OS MolecularWeight: 361.21646

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C=N1)Br)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CN1C(=O)C(=C(C=N1)Br)C(C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H9BrN4OS/c1-19-14(20)12(9(15)7-17-19)8(6-16)13-18-10-4-2-3-5-11(10)21-13/h2-5,7-8H,1H3