(2S)-3-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: (2S)-3-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: (2S)-3-(5-chloro-2-methylsulfanyl-pyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxo-propanenitrile CAS Name: (2S)-3-[5-chloro-2-(methylthio)-4-pyrimidinyl]-2-(1-methyl-2-benzimidazolyl)-3-oxopropanenitrile IUPAC Name: (2S)-3-(5-chloro-2-methylsulfanylpyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile Traditional Name: (2S)-3-[5-chloro-2-(methylthio)pyrimidin-4-yl]-3-keto-2-(1-methylbenzimidazol-2-yl)propionitrile Formula: C16H12ClN5OS MolecularWeight: 357.81738

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

CN1C2=CC=CC=C2N=C1[C@H](C#N)C(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C16H12ClN5OS/c1-22-12-6-4-3-5-11(12)20-15(22)9(7-18)14(23)13-10(17)8-19-16(21-13)24-2/h3-6,8-9H,1-2H3/t9-/m1/s1