4-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: 4-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C24H22ClN5O2S MolecularWeight: 479.98178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N

InChI

InChI=1S/C24H22ClN5O2S/c1-14(2)9-10-30-23(32)16-8-7-15(25)11-20(16)29-24(30)33-13-21(31)17(12-26)22-27-18-5-3-4-6-19(18)28-22/h3-8,11,14,27-28H,9-10,13H2,1-2H3