3-[5-chloranyl-2-(2-hydroxyethylsulfanyl)pyrimidin-4-yl]-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[5-chloranyl-2-(2-hydroxyethylsulfanyl)pyrimidin-4-yl]-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: 3-[5-chloro-2-(2-hydroxyethylsulfanyl)pyrimidin-4-yl]-2-(1-methylbenzimidazol-2-yl)-3-oxo-propanenitrile CAS Name: 3-[5-chloro-2-(2-hydroxyethylthio)-4-pyrimidinyl]-2-(1-methyl-2-benzimidazolyl)-3-oxopropanenitrile IUPAC Name: 3-[5-chloro-2-(2-hydroxyethylsulfanyl)pyrimidin-4-yl]-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile Traditional Name: 3-[5-chloro-2-(2-hydroxyethylthio)pyrimidin-4-yl]-3-keto-2-(1-methylbenzimidazol-2-yl)propionitrile Formula: C17H14ClN5O2S MolecularWeight: 387.84336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN5O2S/c1-23-13-5-3-2-4-12(13)21-16(23)10(8-19)15(25)14-11(18)9-20-17(22-14)26-7-6-24/h2-5,9-10,24H,6-7H2,1H3