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

Systemtic Name: 4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-nitro-phenolate Openeye Name: 4-[(Z)-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-nitro-phenolate CAS Name: 4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-nitrophenolate IUPAC Name: 4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-nitrophenolate Traditional Name: 4-[(Z)-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-nitro-phenolate Formula: C12H10N5O3S- MolecularWeight: 304.3045

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NNC(=S)N2N=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NNC(=S)N2/N=C\C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O3S/c18-10-4-1-7(5-9(10)17(19)20)6-13-16-11(8-2-3-8)14-15-12(16)21/h1,4-6,8,18H,2-3H2,(H,15,21)/p-1/b13-6-