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

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-quinazolin-4-ylsulfanyl-butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-quinazolin-4-ylsulfanyl-butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxo-4-(4-quinazolinylthio)butanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-quinazolin-4-ylsulfanylbutanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-4-(quinazolin-4-ylthio)butyronitrile Formula: C21H17N5OS MolecularWeight: 387.45758

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NC=NC4=CC=CC=C43)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NC=NC4=CC=CC=C43)C

InChI

InChI=1S/C21H17N5OS/c1-25-17-9-5-6-10-18(17)26(2)21(25)15(11-22)19(27)12-28-20-14-7-3-4-8-16(14)23-13-24-20/h3-10,13H,12H2,1-2H3