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

Systemtic Name: N-[2-(3-chlorophenyl)ethyl]-2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[2-(3-chlorophenyl)ethyl]-2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[2-(3-chlorophenyl)ethyl]-2-[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[2-(3-chlorophenyl)ethyl]-2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[2-(3-chlorophenyl)ethyl]-2-[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C25H19ClN4O2S MolecularWeight: 474.96196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NCCC3=CC(=CC=C3)Cl)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NCCC3=CC(=CC=C3)Cl)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H19ClN4O2S/c26-19-5-3-4-17(14-19)12-13-28-23(31)16-33-25-29-22-7-2-1-6-21(22)24(32)30(25)20-10-8-18(15-27)9-11-20/h1-11,14H,12-13,16H2,(H,28,31)