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

Systemtic Name: 2-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-4-methoxy-6-nitro-phenolate Openeye Name: 2-[(Z)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-4-methoxy-6-nitro-phenolate CAS Name: 2-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-4-methoxy-6-nitrophenolate IUPAC Name: 2-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-4-methoxy-6-nitrophenolate Traditional Name: 2-[(Z)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-4-methoxy-6-nitro-phenolate Formula: C12H12N5O4S- MolecularWeight: 322.31978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O4S/c1-3-10-14-15-12(22)16(10)13-6-7-4-8(21-2)5-9(11(7)18)17(19)20/h4-6,18H,3H2,1-2H3,(H,15,22)/p-1/b13-6-