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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(=C4NC5=CC=CC=C5N4)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(=C4NC5=CC=CC=C5N4)C#N

InChI

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