2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[3-(2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-oxo-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[3-(2-methoxy-5-methylphenyl)-4-oxo-2-quinazolinyl]thio]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[[4-keto-3-(2-methoxy-5-methyl-phenyl)quinazolin-2-yl]thio]butyronitrile Formula: C27H21N5O3S MolecularWeight: 495.55234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(=C4NC5=CC=CC=C5N4)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(=C4NC5=CC=CC=C5N4)C#N

InChI

InChI=1S/C27H21N5O3S/c1-16-11-12-24(35-2)22(13-16)32-26(34)17-7-3-4-8-19(17)31-27(32)36-15-23(33)18(14-28)25-29-20-9-5-6-10-21(20)30-25/h3-13,29-30H,15H2,1-2H3