2-ethanimidoyl-4-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: 2-ethanimidoyl-4-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: 2-ethanimidoyl-3-oxo-4-[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanyl-butanenitrile CAS Name: 2-(1-iminoethyl)-4-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]-3-oxobutanenitrile IUPAC Name: 2-ethanimidoyl-4-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]butyronitrile Formula: C22H20N4O2S MolecularWeight: 404.4848

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(C#N)C(=N)C

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O2S/c1-14-7-9-16(10-8-14)12-26-21(28)17-5-3-4-6-19(17)25-22(26)29-13-20(27)18(11-23)15(2)24/h3-10,18,24H,12-13H2,1-2H3