2-[(4-bromophenyl)methylsulfanyl]-N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]pyridine-3-carboxamide Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]pyridine-3-carboxamide CAS Name: 2-[(4-bromophenyl)methylthio]-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]pyridine-3-carboxamide Traditional Name: 2-[(4-bromobenzyl)thio]-N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-methyl-nicotinamide Formula: C23H19BrN4O2S MolecularWeight: 495.39156

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=C(N=CC=C3)SCC4=CC=C(C=C4)Br

Isomeric SMILES

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=C(N=CC=C3)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H19BrN4O2S/c1-28(13-20-26-19-7-3-2-5-17(19)21(29)27-20)23(30)18-6-4-12-25-22(18)31-14-15-8-10-16(24)11-9-15/h2-12H,13-14H2,1H3,(H,26,27,29)