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

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-pyrimidin-2-ylsulfanyl-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-pyrimidin-2-ylsulfanyl-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(2-pyrimidinylthio)butanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-pyrimidin-2-ylsulfanylbutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-(2-pyrimidylthio)butyronitrile Formula: C15H11N5OS MolecularWeight: 309.34574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)CSC3=NC=CC=N3)N2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)CSC3=NC=CC=N3)N2

InChI

InChI=1S/C15H11N5OS/c16-8-10(13(21)9-22-15-17-6-3-7-18-15)14-19-11-4-1-2-5-12(11)20-14/h1-7,19-20H,9H2