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

Systemtic Name: 2-methoxy-4-[(Z)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(Z)-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[(Z)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(Z)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-6-nitrophenolate Traditional Name: 2-methoxy-4-[(Z)-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-6-nitro-phenolate Formula: C11H10N5O4S- MolecularWeight: 308.2932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1N=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NNC(=S)N1/N=C\C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H11N5O4S/c1-6-13-14-11(21)15(6)12-5-7-3-8(16(18)19)10(17)9(4-7)20-2/h3-5,17H,1-2H3,(H,14,21)/p-1/b12-5-