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

Systemtic Name: 4-chloranyl-2-nitro-6-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Openeye Name: 4-chloro-2-nitro-6-[(Z)-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate CAS Name: 4-chloro-2-nitro-6-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate IUPAC Name: 4-chloro-2-nitro-6-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Traditional Name: 4-chloro-2-nitro-6-[(Z)-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Formula: C15H9ClN5O3S- MolecularWeight: 374.78166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10ClN5O3S/c16-11-6-10(13(22)12(7-11)21(23)24)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-