9-bromanyl-2-(4-methylsulfanylphenyl)-5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

Systemtic Name: 9-bromanyl-2-(4-methylsulfanylphenyl)-5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine Openeye Name: 9-bromo-2-(4-methylsulfanylphenyl)-5-(3-pyridyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine CAS Name: 9-bromo-2-[4-(methylthio)phenyl]-5-(3-pyridinyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine IUPAC Name: 9-bromo-2-(4-methylsulfanylphenyl)-5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine Traditional Name: 9-bromo-2-[4-(methylthio)phenyl]-5-(3-pyridyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine Formula: C22H18BrN3OS MolecularWeight: 452.36682

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC3C5=CN=CC=C5

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC3C5=CN=CC=C5

InChI

InChI=1S/C22H18BrN3OS/c1-28-17-7-4-14(5-8-17)19-12-20-18-11-16(23)6-9-21(18)27-22(26(20)25-19)15-3-2-10-24-13-15/h2-11,13,20,22H,12H2,1H3