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

Systemtic Name: ethyl 2-methyl-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl 2-methyl-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-methyl-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-methyl-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-methyl-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C16H20N4O5S MolecularWeight: 380.4188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)SC1=NN=C(N1C)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C)(C)SC1=NN=C(N1C)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O5S/c1-5-24-14(21)16(2,3)26-15-18-17-13(19(15)4)10-25-12-8-6-11(7-9-12)20(22)23/h6-9H,5,10H2,1-4H3