2-ethoxy-6-nitro-4-[(Z)-[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]iminomethyl]phenolate

Systemtic Name: 2-ethoxy-6-nitro-4-[(Z)-[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]iminomethyl]phenolate Openeye Name: 4-[(Z)-(3-benzylsulfanyl-1,2,4-triazol-4-yl)iminomethyl]-2-ethoxy-6-nitro-phenolate CAS Name: 2-ethoxy-6-nitro-4-[(Z)-[3-(phenylmethylthio)-1,2,4-triazol-4-yl]iminomethyl]phenolate IUPAC Name: 4-[(Z)-(3-benzylsulfanyl-1,2,4-triazol-4-yl)iminomethyl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-[(Z)-[3-(benzylthio)-1,2,4-triazol-4-yl]iminomethyl]-2-ethoxy-6-nitro-phenolate Formula: C18H16N5O4S- MolecularWeight: 398.41574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=NN2C=NN=C2SCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=N\N2C=NN=C2SCC3=CC=CC=C3

InChI

InChI=1S/C18H17N5O4S/c1-2-27-16-9-14(8-15(17(16)24)23(25)26)10-20-22-12-19-21-18(22)28-11-13-6-4-3-5-7-13/h3-10,12,24H,2,11H2,1H3/p-1/b20-10-