2-(1,3-benzothiazol-2-yl)-2-(5-chloranyl-1-methyl-3-nitro-6-oxidanylidene-pyridazin-4-yl)ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-(5-chloranyl-1-methyl-3-nitro-6-oxidanylidene-pyridazin-4-yl)ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-(5-chloro-1-methyl-3-nitro-6-oxo-pyridazin-4-yl)acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-(5-chloro-1-methyl-3-nitro-6-oxo-4-pyridazinyl)acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-(5-chloro-1-methyl-3-nitro-6-oxopyridazin-4-yl)acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-(5-chloro-6-keto-1-methyl-3-nitro-pyridazin-4-yl)acetonitrile Formula: C14H8ClN5O3S MolecularWeight: 361.76302

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C(=N1)[N+](=O)[O-])C(C#N)C2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

CN1C(=O)C(=C(C(=N1)[N+](=O)[O-])C(C#N)C2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C14H8ClN5O3S/c1-19-14(21)11(15)10(12(18-19)20(22)23)7(6-16)13-17-8-4-2-3-5-9(8)24-13/h2-5,7H,1H3