1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]phthalazine

Systemtic Name: 1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]phthalazine Openeye Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]phthalazine CAS Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]phthalazine IUPAC Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]phthalazine Traditional Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]phthalazine Formula: C17H13BrN2O2S MolecularWeight: 389.26632

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NN=CC4=CC=CC=C43

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NN=CC4=CC=CC=C43

InChI

InChI=1S/C17H13BrN2O2S/c18-14-8-16-15(21-5-6-22-16)7-12(14)10-23-17-13-4-2-1-3-11(13)9-19-20-17/h1-4,7-9H,5-6,10H2