ethyl 2-[4-methyl-5-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-methyl-5-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-methyl-5-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[4-methyl-5-[[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-methyl-5-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-[[2-keto-2-(4-methyl-3-nitro-phenyl)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C)SCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C)SCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5S/c1-4-25-15(22)8-14-17-18-16(19(14)3)26-9-13(21)11-6-5-10(2)12(7-11)20(23)24/h5-7H,4,8-9H2,1-3H3