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

Systemtic Name: 4-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(4-oxo-3-sec-butyl-quinazolin-2-yl)sulfanyl-butanenitrile CAS Name: 4-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: 4-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]butyronitrile Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N

InChI

InChI=1S/C23H21N5O2S/c1-3-14(2)28-22(30)15-8-4-5-9-17(15)27-23(28)31-13-20(29)16(12-24)21-25-18-10-6-7-11-19(18)26-21/h4-11,14,25-26H,3,13H2,1-2H3