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

Systemtic Name: (2S)-2-(1,3-benzothiazol-2-yl)-2-(5-chloranyl-1-ethyl-3-nitro-6-oxidanylidene-pyridazin-4-yl)ethanenitrile Openeye Name: (2S)-2-(1,3-benzothiazol-2-yl)-2-(5-chloro-1-ethyl-3-nitro-6-oxo-pyridazin-4-yl)acetonitrile CAS Name: (2S)-2-(1,3-benzothiazol-2-yl)-2-(5-chloro-1-ethyl-3-nitro-6-oxo-4-pyridazinyl)acetonitrile IUPAC Name: (2S)-2-(1,3-benzothiazol-2-yl)-2-(5-chloro-1-ethyl-3-nitro-6-oxopyridazin-4-yl)acetonitrile Traditional Name: (2S)-2-(1,3-benzothiazol-2-yl)-2-(5-chloro-1-ethyl-6-keto-3-nitro-pyridazin-4-yl)acetonitrile Formula: C15H10ClN5O3S MolecularWeight: 375.7896

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)[N+](=O)[O-])C(C#N)C2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)[N+](=O)[O-])[C@@H](C#N)C2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C15H10ClN5O3S/c1-2-20-15(22)12(16)11(13(19-20)21(23)24)8(7-17)14-18-9-5-3-4-6-10(9)25-14/h3-6,8H,2H2,1H3/t8-/m1/s1