2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-oxo-butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-4-[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-4-[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]butyronitrile Formula: C27H22N6O2S MolecularWeight: 494.56758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(=C4N(C5=CC=CC=C5N4C)C)C#N

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(=C4N(C5=CC=CC=C5N4C)C)C#N

InChI

InChI=1S/C27H22N6O2S/c1-17-12-13-29-24(14-17)33-26(35)18-8-4-5-9-20(18)30-27(33)36-16-23(34)19(15-28)25-31(2)21-10-6-7-11-22(21)32(25)3/h4-14H,16H2,1-3H3