4-[(E)-[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-2-bromanyl-6-methoxy-phenolate

Systemtic Name: 4-[(E)-[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-2-bromanyl-6-methoxy-phenolate Openeye Name: 4-[(E)-[[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazono]methyl]-2-bromo-6-methoxy-phenolate CAS Name: 4-[(E)-[[2-(1,3-benzoxazol-3-ium-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]-2-bromo-6-methoxyphenolate IUPAC Name: 4-[(E)-[[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-2-bromo-6-methoxyphenolate Traditional Name: 4-[(E)-[[2-(1,3-benzoxazol-3-ium-2-ylthio)acetyl]hydrazono]methyl]-2-bromo-6-methoxy-phenolate Formula: C17H14BrN3O4S MolecularWeight: 436.27976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=O)CSC2=[NH+]C3=CC=CC=C3O2)Br)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC(=O)CSC2=[NH+]C3=CC=CC=C3O2)Br)[O-]

InChI

InChI=1S/C17H14BrN3O4S/c1-24-14-7-10(6-11(18)16(14)23)8-19-21-15(22)9-26-17-20-12-4-2-3-5-13(12)25-17/h2-8,23H,9H2,1H3,(H,21,22)/b19-8+