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

Systemtic Name: 4-[(Z)-(3-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(Z)-(3-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(Z)-(3-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(Z)-(3-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(Z)-(3-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-6-nitro-phenolate Formula: C14H16N5O4S- MolecularWeight: 350.37294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NNC(=S)N1N=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NNC(=S)N1/N=C\C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O4S/c1-3-4-5-12-16-17-14(24)18(12)15-8-9-6-10(19(21)22)13(20)11(7-9)23-2/h6-8,20H,3-5H2,1-2H3,(H,17,24)/p-1/b15-8-