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

Systemtic Name: 2-methoxy-6-nitro-4-[(Z)-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Openeye Name: 4-[(Z)-(3-isopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-6-nitro-phenolate CAS Name: 2-methoxy-6-nitro-4-[(Z)-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate IUPAC Name: 2-methoxy-6-nitro-4-[(Z)-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Traditional Name: 4-[(Z)-(3-isopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-6-nitro-phenolate Formula: C13H14N5O4S- MolecularWeight: 336.34636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=S)N1N=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NNC(=S)N1/N=C\C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O4S/c1-7(2)12-15-16-13(23)17(12)14-6-8-4-9(18(20)21)11(19)10(5-8)22-3/h4-7,19H,1-3H3,(H,16,23)/p-1/b14-6-