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

Systemtic Name: 2-[(E)-[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-4-bromanyl-phenolate Openeye Name: 2-[(E)-[[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazono]methyl]-4-bromo-phenolate CAS Name: 2-[(E)-[[2-(1,3-benzoxazol-3-ium-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]-4-bromophenolate IUPAC Name: 2-[(E)-[[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-4-bromophenolate Traditional Name: 2-[(E)-[[2-(1,3-benzoxazol-3-ium-2-ylthio)acetyl]hydrazono]methyl]-4-bromo-phenolate Formula: C16H12BrN3O3S MolecularWeight: 406.25378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[NH+]=C(O2)SCC(=O)NN=CC3=C(C=CC(=C3)Br)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)[NH+]=C(O2)SCC(=O)N/N=C/C3=C(C=CC(=C3)Br)[O-]

InChI

InChI=1S/C16H12BrN3O3S/c17-11-5-6-13(21)10(7-11)8-18-20-15(22)9-24-16-19-12-3-1-2-4-14(12)23-16/h1-8,21H,9H2,(H,20,22)/b18-8+