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

Systemtic Name: 2-nitro-6-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Openeye Name: 2-nitro-6-[(Z)-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate CAS Name: 2-nitro-6-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate IUPAC Name: 2-nitro-6-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Traditional Name: 2-nitro-6-[(Z)-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Formula: C15H10N5O3S- MolecularWeight: 340.3366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N5O3S/c21-13-11(7-4-8-12(13)20(22)23)9-16-19-14(17-18-15(19)24)10-5-2-1-3-6-10/h1-9,21H,(H,18,24)/p-1/b16-9-