N-(4-cyanophenyl)-2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(4-cyanophenyl)-2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(4-cyanophenyl)-2-[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(4-cyanophenyl)-2-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(4-cyanophenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(4-cyanophenyl)-2-[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]propionamide Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H20N4O2S/c1-16-7-13-20(14-8-16)29-24(31)21-5-3-4-6-22(21)28-25(29)32-17(2)23(30)27-19-11-9-18(15-26)10-12-19/h3-14,17H,1-2H3,(H,27,30)