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

Systemtic Name: 2-[(E)-[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 2-[(E)-[[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazono]methyl]phenolate CAS Name: 2-[(E)-[[2-(1,3-benzoxazol-3-ium-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2-[(E)-[[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 2-[(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=C(C(=C1)C=NNC(=O)CSC2=[NH+]C3=CC=CC=C3O2)[O-]

Isomeric SMILES

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

InChI

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