6-bromanyl-3-(3-ethoxypropyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-3-(3-ethoxypropyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 6-bromo-3-(3-ethoxypropyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one CAS Name: 6-bromo-3-(3-ethoxypropyl)-2-[[4-(1-pyrazolyl)phenyl]methylthio]-4-quinazolinone IUPAC Name: 6-bromo-3-(3-ethoxypropyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 6-bromo-3-(3-ethoxypropyl)-2-[(4-pyrazol-1-ylbenzyl)thio]quinazolin-4-one Formula: C23H23BrN4O2S MolecularWeight: 499.42332

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C23H23BrN4O2S/c1-2-30-14-4-12-27-22(29)20-15-18(24)7-10-21(20)26-23(27)31-16-17-5-8-19(9-6-17)28-13-3-11-25-28/h3,5-11,13,15H,2,4,12,14,16H2,1H3