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

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-quinolin-2-ylsulfanyl-butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-(2-quinolylsulfanyl)butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxo-4-(2-quinolinylthio)butanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-quinolin-2-ylsulfanylbutanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-4-(2-quinolylthio)butyronitrile Formula: C22H18N4OS MolecularWeight: 386.46952

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NC4=CC=CC=C4C=C3)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C22H18N4OS/c1-25-18-9-5-6-10-19(18)26(2)22(25)16(13-23)20(27)14-28-21-12-11-15-7-3-4-8-17(15)24-21/h3-12H,14H2,1-2H3