(2S)-2-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)-2-(1-ethylbenzimidazol-2-yl)ethanenitrile

Systemtic Name: (2S)-2-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)-2-(1-ethylbenzimidazol-2-yl)ethanenitrile Openeye Name: (2S)-2-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile CAS Name: (2S)-2-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-2-(1-ethyl-2-benzimidazolyl)acetonitrile IUPAC Name: (2S)-2-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile Traditional Name: (2S)-2-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile Formula: C21H16ClN5O MolecularWeight: 389.83764

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1C(C#N)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1[C@H](C#N)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H16ClN5O/c1-2-26-18-11-7-6-10-17(18)25-20(26)15(12-23)16-13-24-27(21(28)19(16)22)14-8-4-3-5-9-14/h3-11,13,15H,2H2,1H3/t15-/m1/s1