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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-(5-chloranyl-1-ethyl-6-oxidanylidene-pyridazin-4-yl)ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-(5-chloro-1-ethyl-6-oxo-pyridazin-4-yl)acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-(5-chloro-1-ethyl-6-oxo-4-pyridazinyl)acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-(5-chloro-1-ethyl-6-oxopyridazin-4-yl)acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-(5-chloro-1-ethyl-6-keto-pyridazin-4-yl)acetonitrile Formula: C15H11ClN4OS MolecularWeight: 330.79204

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C=N1)C(C#N)C2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

CCN1C(=O)C(=C(C=N1)C(C#N)C2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C15H11ClN4OS/c1-2-20-15(21)13(16)10(8-18-20)9(7-17)14-19-11-5-3-4-6-12(11)22-14/h3-6,8-9H,2H2,1H3