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

Systemtic Name: 2-ethoxy-4-[(Z)-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-[(Z)-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)iminomethyl]-2-ethoxy-6-nitro-phenolate CAS Name: 2-ethoxy-4-[(Z)-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-[(Z)-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)iminomethyl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-[(Z)-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]iminomethyl]-2-ethoxy-6-nitro-phenolate Formula: C19H18N5O4S- MolecularWeight: 412.44232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O4S/c1-3-28-17-10-15(9-16(18(17)25)24(26)27)11-20-23-13(2)21-22-19(23)29-12-14-7-5-4-6-8-14/h4-11,25H,3,12H2,1-2H3/p-1/b20-11-