4-(3-methyl-2-pentylsulfanyl-1,3-thiazol-3-ium-4-yl)benzene-1,2-diol bromide

Systemtic Name: 4-(3-methyl-2-pentylsulfanyl-1,3-thiazol-3-ium-4-yl)benzene-1,2-diol bromide Openeye Name: 4-(3-methyl-2-pentylsulfanyl-thiazol-3-ium-4-yl)benzene-1,2-diol bromide CAS Name: 4-[3-methyl-2-(pentylthio)-4-thiazol-3-iumyl]benzene-1,2-diol bromide IUPAC Name: 4-(3-methyl-2-pentylsulfanyl-1,3-thiazol-3-ium-4-yl)benzene-1,2-diol bromide Traditional Name: 4-[2-(amylthio)-3-methyl-thiazol-3-ium-4-yl]pyrocatechol bromide Formula: C15H20BrNO2S2 MolecularWeight: 390.3588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=[N+](C(=CS1)C2=CC(=C(C=C2)O)O)C.[Br-]

Isomeric SMILES

CCCCCSC1=[N+](C(=CS1)C2=CC(=C(C=C2)O)O)C.[Br-]

InChI

InChI=1S/C15H19NO2S2.BrH/c1-3-4-5-8-19-15-16(2)12(10-20-15)11-6-7-13(17)14(18)9-11;/h6-7,9-10H,3-5,8H2,1-2H3,(H-,17,18);1H