2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-butanenitrile

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxo-4-[(4-oxo-3-phenyl-2-quinazolinyl)thio]butanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-4-[(4-keto-3-phenyl-quinazolin-2-yl)thio]butyronitrile Formula: C27H21N5O2S MolecularWeight: 479.55294

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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(=O)N3C5=CC=CC=C5)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5)C

InChI

InChI=1S/C27H21N5O2S/c1-30-22-14-8-9-15-23(22)31(2)25(30)20(16-28)24(33)17-35-27-29-21-13-7-6-12-19(21)26(34)32(27)18-10-4-3-5-11-18/h3-15H,17H2,1-2H3