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

Systemtic Name: 3-[(E)-[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 3-[(E)-[[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazono]methyl]phenolate CAS Name: 3-[(E)-[[2-(1,3-benzoxazol-3-ium-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 3-[(E)-[[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 3-[(E)-[[2-(1,3-benzoxazol-3-ium-2-ylthio)acetyl]hydrazono]methyl]phenolate Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O3S/c20-12-5-3-4-11(8-12)9-17-19-15(21)10-23-16-18-13-6-1-2-7-14(13)22-16/h1-9,20H,10H2,(H,19,21)/b17-9+