2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-pyrimidin-2-ylsulfanyl-butanenitrile

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-pyrimidin-2-ylsulfanyl-butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-pyrimidin-2-ylsulfanyl-butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxo-4-(2-pyrimidinylthio)butanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-pyrimidin-2-ylsulfanylbutanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-4-(2-pyrimidylthio)butyronitrile Formula: C17H15N5OS MolecularWeight: 337.3989

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NC=CC=N3)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NC=CC=N3)C

InChI

InChI=1S/C17H15N5OS/c1-21-13-6-3-4-7-14(13)22(2)16(21)12(10-18)15(23)11-24-17-19-8-5-9-20-17/h3-9H,11H2,1-2H3