2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-3-oxidanylidene-butanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N

InChI

InChI=1S/C25H25N5O2S/c1-2-3-4-9-14-30-24(32)17-10-5-6-11-19(17)29-25(30)33-16-22(31)18(15-26)23-27-20-12-7-8-13-21(20)28-23/h5-8,10-13,27-28H,2-4,9,14,16H2,1H3