2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4H-3,1-benzothiazine

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4H-3,1-benzothiazine Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4H-3,1-benzothiazine CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4H-3,1-benzothiazine IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4H-3,1-benzothiazine Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4H-3,1-benzothiazine Formula: C16H12BrNO2S2 MolecularWeight: 394.30598

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N=C(S1)SCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

C1C2=CC=CC=C2N=C(S1)SCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C16H12BrNO2S2/c17-12-6-15-14(19-9-20-15)5-11(12)8-22-16-18-13-4-2-1-3-10(13)7-21-16/h1-6H,7-9H2