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

Systemtic Name: 2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[2-(2-methylphenyl)ethyl]ethanamide Openeye Name: 2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[2-(o-tolyl)ethyl]acetamide CAS Name: 2-[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]-N-[2-(2-methylphenyl)ethyl]acetamide IUPAC Name: 2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(2-methylphenyl)ethyl]acetamide Traditional Name: 2-[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]-N-[2-(o-tolyl)ethyl]acetamide Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H22N4O2S/c1-18-6-2-3-7-20(18)14-15-28-24(31)17-33-26-29-23-9-5-4-8-22(23)25(32)30(26)21-12-10-19(16-27)11-13-21/h2-13H,14-15,17H2,1H3,(H,28,31)