2-[(4-bromophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)quinazolin-4-one

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)quinazolin-4-one Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(3-pyridylmethyl)quinazolin-4-one CAS Name: 2-[(4-bromophenyl)methylthio]-3-(3-pyridinylmethyl)-4-quinazolinone IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)quinazolin-4-one Traditional Name: 2-[(4-bromobenzyl)thio]-3-(3-pyridylmethyl)quinazolin-4-one Formula: C21H16BrN3OS MolecularWeight: 438.34024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)Br)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)Br)CC4=CN=CC=C4

InChI

InChI=1S/C21H16BrN3OS/c22-17-9-7-15(8-10-17)14-27-21-24-19-6-2-1-5-18(19)20(26)25(21)13-16-4-3-11-23-12-16/h1-12H,13-14H2