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

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanyl-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]butyronitrile Formula: C27H21N5O2S MolecularWeight: 479.55294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(=C4NC5=CC=CC=C5N4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(=C4NC5=CC=CC=C5N4)C#N

InChI

InChI=1S/C27H21N5O2S/c1-17-10-12-18(13-11-17)15-32-26(34)19-6-2-3-7-21(19)31-27(32)35-16-24(33)20(14-28)25-29-22-8-4-5-9-23(22)30-25/h2-13,29-30H,15-16H2,1H3