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

Systemtic Name: (2S)-2-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanenitrile Openeye Name: (2S)-2-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile CAS Name: (2S)-2-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-2-(1-methyl-2-benzimidazolyl)acetonitrile IUPAC Name: (2S)-2-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile Traditional Name: (2S)-2-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile Formula: C20H14ClN5O MolecularWeight: 375.81106

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CN1C2=CC=CC=C2N=C1[C@H](C#N)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C20H14ClN5O/c1-25-17-10-6-5-9-16(17)24-19(25)14(11-22)15-12-23-26(20(27)18(15)21)13-7-3-2-4-8-13/h2-10,12,14H,1H3/t14-/m1/s1