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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1N=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC1=NNC(=S)N1/N=C\C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O4S/c1-3-4-11-15-16-13(23)17(11)14-7-8-5-9(18(20)21)12(19)10(6-8)22-2/h5-7,19H,3-4H2,1-2H3,(H,16,23)/p-1/b14-7-