2-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanamide

Systemtic Name: 2-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanamide Openeye Name: 2-[3-(4-bromophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(E)-1-(3-pyridyl)ethylideneamino]acetamide CAS Name: 2-[[3-(4-bromophenyl)-4-oxo-2-quinazolinyl]thio]-N-[(E)-1-(3-pyridinyl)ethylideneamino]acetamide IUPAC Name: 2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide Traditional Name: 2-[[3-(4-bromophenyl)-4-keto-quinazolin-2-yl]thio]-N-[(E)-1-(3-pyridyl)ethylideneamino]acetamide Formula: C23H18BrN5O2S MolecularWeight: 508.39032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Br)C4=CN=CC=C4

Isomeric SMILES

C/C(=N\NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Br)/C4=CN=CC=C4

InChI

InChI=1S/C23H18BrN5O2S/c1-15(16-5-4-12-25-13-16)27-28-21(30)14-32-23-26-20-7-3-2-6-19(20)22(31)29(23)18-10-8-17(24)9-11-18/h2-13H,14H2,1H3,(H,28,30)/b27-15+