3-(6-chloranylpyridin-3-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(6-chloranylpyridin-3-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: 3-(6-chloro-3-pyridyl)-2-(1-methylbenzimidazol-2-yl)-3-oxo-propanenitrile CAS Name: 3-(6-chloro-3-pyridinyl)-2-(1-methyl-2-benzimidazolyl)-3-oxopropanenitrile IUPAC Name: 3-(6-chloropyridin-3-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile Traditional Name: 3-(6-chloro-3-pyridyl)-3-keto-2-(1-methylbenzimidazol-2-yl)propionitrile Formula: C16H11ClN4O MolecularWeight: 310.73774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN4O/c1-21-13-5-3-2-4-12(13)20-16(21)11(8-18)15(22)10-6-7-14(17)19-9-10/h2-7,9,11H,1H3