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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-(5-chloranyl-3-nitro-6-oxidanylidene-1-propyl-pyridazin-4-yl)ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-(5-chloro-3-nitro-6-oxo-1-propyl-pyridazin-4-yl)acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-(5-chloro-3-nitro-6-oxo-1-propyl-4-pyridazinyl)acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-(5-chloro-3-nitro-6-oxo-1-propylpyridazin-4-yl)acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-(5-chloro-6-keto-3-nitro-1-propyl-pyridazin-4-yl)acetonitrile Formula: C16H12ClN5O3S MolecularWeight: 389.81618

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=C(C(=N1)[N+](=O)[O-])C(C#N)C2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCN1C(=O)C(=C(C(=N1)[N+](=O)[O-])C(C#N)C2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C16H12ClN5O3S/c1-2-7-21-16(23)13(17)12(14(20-21)22(24)25)9(8-18)15-19-10-5-3-4-6-11(10)26-15/h3-6,9H,2,7H2,1H3