(Z)-3-(1,3-benzoxazol-2-ylsulfanyl)-1-diazonio-but-1-en-2-olate

Systemtic Name: (Z)-3-(1,3-benzoxazol-2-ylsulfanyl)-1-diazonio-but-1-en-2-olate Openeye Name: (Z)-3-(1,3-benzoxazol-2-ylsulfanyl)-1-diazonio-but-1-en-2-olate CAS Name: (Z)-3-(1,3-benzoxazol-2-ylthio)-1-diazonio-1-buten-2-olate IUPAC Name: (Z)-3-(1,3-benzoxazol-2-ylsulfanyl)-1-diazoniobut-1-en-2-olate Traditional Name: (Z)-3-(1,3-benzoxazol-2-ylthio)-1-diazonio-but-1-en-2-olate Formula: C11H9N3O2S MolecularWeight: 247.27306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=C[N+]#N)[O-])SC1=NC2=CC=CC=C2O1

Isomeric SMILES

CC(/C(=C/[N+]#N)/[O-])SC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C11H9N3O2S/c1-7(9(15)6-13-12)17-11-14-8-4-2-3-5-10(8)16-11/h2-7H,1H3/b9-6-