2-methoxy-6-[(Z)-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-methoxy-6-[(Z)-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[(Z)-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)iminomethyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-methoxy-6-[(Z)-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[(Z)-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)iminomethyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[(Z)-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]iminomethyl]-6-methoxy-4-nitro-phenolate Formula: C18H16N5O4S- MolecularWeight: 398.41574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N=CC2=CC(=CC(=C2[O-])OC)[N+](=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1/N=C\C2=CC(=CC(=C2[O-])OC)[N+](=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C18H17N5O4S/c1-12-20-21-18(28-11-13-6-4-3-5-7-13)22(12)19-10-14-8-15(23(25)26)9-16(27-2)17(14)24/h3-10,24H,11H2,1-2H3/p-1/b19-10-