2-bromanyl-4-nitro-6-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate

Systemtic Name: 2-bromanyl-4-nitro-6-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Openeye Name: 2-bromo-4-nitro-6-[(Z)-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate CAS Name: 2-bromo-4-nitro-6-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate IUPAC Name: 2-bromo-4-nitro-6-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Traditional Name: 2-bromo-4-nitro-6-[(Z)-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Formula: C15H9BrN5O3S- MolecularWeight: 419.23266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC(=CC(=C3[O-])Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=S)N2/N=C\C3=CC(=CC(=C3[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C15H10BrN5O3S/c16-12-7-11(21(23)24)6-10(13(12)22)8-17-20-14(18-19-15(20)25)9-4-2-1-3-5-9/h1-8,22H,(H,19,25)/p-1/b17-8-