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

Systemtic Name: 4-[7-chloranyl-3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-[7-chloro-3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-[[7-chloro-3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: 4-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-[[7-chloro-4-keto-3-(o-tolyl)quinazolin-2-yl]thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C26H18ClN5O2S MolecularWeight: 499.97142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)C(=C4NC5=CC=CC=C5N4)C#N

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)C(=C4NC5=CC=CC=C5N4)C#N

InChI

InChI=1S/C26H18ClN5O2S/c1-15-6-2-5-9-22(15)32-25(34)17-11-10-16(27)12-21(17)31-26(32)35-14-23(33)18(13-28)24-29-19-7-3-4-8-20(19)30-24/h2-12,29-30H,14H2,1H3