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

Systemtic Name: ethyl 3-methyl-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: ethyl 3-methyl-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 3-methyl-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: 3-methyl-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]butyric acid ethyl ester Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O5S/c1-5-25-16(22)15(11(2)3)27-17-19-18-14(20(17)4)10-26-13-8-6-12(7-9-13)21(23)24/h6-9,11,15H,5,10H2,1-4H3