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

Systemtic Name: 4-chloranyl-2-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[(Z)-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[(Z)-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-6-nitro-phenolate Formula: C12H9ClN5O3S- MolecularWeight: 338.74956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClN5O3S/c13-8-3-7(10(19)9(4-8)18(20)21)5-14-17-11(6-1-2-6)15-16-12(17)22/h3-6,19H,1-2H2,(H,16,22)/p-1/b14-5-