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

Systemtic Name: ethyl 2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: ethyl 2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: 2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]butyric acid ethyl ester Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NN=C(N1C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)OCC)SC1=NN=C(N1C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O4S/c1-4-12(14(20)23-5-2)24-15-17-16-13(18(15)3)10-6-8-11(9-7-10)19(21)22/h6-9,12H,4-5H2,1-3H3