4-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-2-(phenylmethylsulfanyl)-1,3-thiazol-5-one

Systemtic Name: 4-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-2-(phenylmethylsulfanyl)-1,3-thiazol-5-one Openeye Name: 2-benzylsulfanyl-4-[(6-bromo-1,3-benzodioxol-5-yl)methylene]thiazol-5-one CAS Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-(phenylmethylthio)-5-thiazolone IUPAC Name: 2-benzylsulfanyl-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazol-5-one Traditional Name: 2-(benzylthio)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-2-thiazolin-5-one Formula: C18H12BrNO3S2 MolecularWeight: 434.32678

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)SC(=N3)SCC4=CC=CC=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)SC(=N3)SCC4=CC=CC=C4)Br

InChI

InChI=1S/C18H12BrNO3S2/c19-13-8-16-15(22-10-23-16)7-12(13)6-14-17(21)25-18(20-14)24-9-11-4-2-1-3-5-11/h1-8H,9-10H2