(2S)-2-(5-chloranyl-6-oxidanylidene-1H-pyridazin-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanenitrile

Systemtic Name: (2S)-2-(5-chloranyl-6-oxidanylidene-1H-pyridazin-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanenitrile Openeye Name: (2S)-2-(5-chloro-6-oxo-1H-pyridazin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile CAS Name: (2S)-2-(5-chloro-6-oxo-1H-pyridazin-4-yl)-2-(1-methyl-2-benzimidazolyl)acetonitrile IUPAC Name: (2S)-2-(5-chloro-6-oxo-1H-pyridazin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile Traditional Name: (2S)-2-(5-chloro-6-keto-1H-pyridazin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile Formula: C14H10ClN5O MolecularWeight: 299.7151

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C3=C(C(=O)NN=C3)Cl

Isomeric SMILES

CN1C2=CC=CC=C2N=C1[C@H](C#N)C3=C(C(=O)NN=C3)Cl

InChI

InChI=1S/C14H10ClN5O/c1-20-11-5-3-2-4-10(11)18-13(20)8(6-16)9-7-17-19-14(21)12(9)15/h2-5,7-8H,1H3,(H,19,21)/t8-/m1/s1