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

Systemtic Name: 4-chloranyl-2-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[(Z)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[(Z)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-6-nitro-phenolate Formula: C11H9ClN5O3S- MolecularWeight: 326.73886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=NNC(=S)N1/N=C\C2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C11H10ClN5O3S/c1-2-9-14-15-11(21)16(9)13-5-6-3-7(12)4-8(10(6)18)17(19)20/h3-5,18H,2H2,1H3,(H,15,21)/p-1/b13-5-