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

Systemtic Name: 4-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-[(3-butyl-4-oxo-2-quinazolinyl)thio]-2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxobutanenitrile IUPAC Name: 4-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-[(3-butyl-4-keto-quinazolin-2-yl)thio]-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N

InChI

InChI=1S/C25H25N5O2S/c1-4-5-14-30-24(32)17-10-6-7-11-19(17)27-25(30)33-16-22(31)18(15-26)23-28(2)20-12-8-9-13-21(20)29(23)3/h6-13H,4-5,14,16H2,1-3H3