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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-(4-chloranyl-2-methyl-3-oxidanylidene-4H-pyridazin-2-ium-5-yl)ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methyl-3-oxo-4H-pyridazin-2-ium-5-yl)acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methyl-3-oxo-4H-pyridazin-2-ium-5-yl)acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methyl-3-oxo-4H-pyridazin-2-ium-5-yl)acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-(4-chloro-3-keto-2-methyl-4H-pyridazin-2-ium-5-yl)acetonitrile Formula: C14H10ClN4OS+ MolecularWeight: 317.7734

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=NC=C(C(C1=O)Cl)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C[N+]1=NC=C(C(C1=O)Cl)C(C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H10ClN4OS/c1-19-14(20)12(15)9(7-17-19)8(6-16)13-18-10-4-2-3-5-11(10)21-13/h2-5,7-8,12H,1H3/q+1