(2S)-2-(5-chloranyl-2-methyl-3-oxidanylidene-pyridazin-4-yl)-2-(1-ethylbenzimidazol-2-yl)ethanenitrile

Systemtic Name: (2S)-2-(5-chloranyl-2-methyl-3-oxidanylidene-pyridazin-4-yl)-2-(1-ethylbenzimidazol-2-yl)ethanenitrile Openeye Name: (2S)-2-(5-chloro-2-methyl-3-oxo-pyridazin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile CAS Name: (2S)-2-(5-chloro-2-methyl-3-oxo-4-pyridazinyl)-2-(1-ethyl-2-benzimidazolyl)acetonitrile IUPAC Name: (2S)-2-(5-chloro-2-methyl-3-oxopyridazin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile Traditional Name: (2S)-2-(5-chloro-3-keto-2-methyl-pyridazin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile Formula: C16H14ClN5O MolecularWeight: 327.76826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN5O/c1-3-22-13-7-5-4-6-12(13)20-15(22)10(8-18)14-11(17)9-19-21(2)16(14)23/h4-7,9-10H,3H2,1-2H3/t10-/m1/s1