methyl 2-[[5-[(4-nitrophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: methyl 2-[[5-[(4-nitrophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[5-[(4-nitrophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[5-[(4-nitrophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[5-[(4-nitrophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[5-[(4-nitrophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OC)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5S/c1-13(18(24)27-2)29-19-21-20-17(22(19)14-6-4-3-5-7-14)12-28-16-10-8-15(9-11-16)23(25)26/h3-11,13H,12H2,1-2H3