2-(1H-benzimidazol-2-yl)-3-oxidanylidene-4-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-butanenitrile

Systemtic Name: 2-(1H-benzimidazol-2-yl)-3-oxidanylidene-4-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-butanenitrile Openeye Name: 4-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-2-(1H-benzimidazol-2-yl)-3-oxo-butanenitrile CAS Name: 2-(1H-benzimidazol-2-yl)-3-oxo-4-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]butanenitrile IUPAC Name: 2-(1H-benzimidazol-2-yl)-3-oxo-4-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylbutanenitrile Traditional Name: 4-[(3-allyl-4-keto-quinazolin-2-yl)thio]-2-(1H-benzimidazol-2-yl)-3-keto-butyronitrile Formula: C22H17N5O2S MolecularWeight: 415.46768

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C(C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C(C#N)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H17N5O2S/c1-2-11-27-21(29)14-7-3-4-8-16(14)26-22(27)30-13-19(28)15(12-23)20-24-17-9-5-6-10-18(17)25-20/h2-10,15H,1,11,13H2,(H,24,25)