1-[5-methylsulfanyl-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]ethanone

Systemtic Name: 1-[5-methylsulfanyl-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]ethanone Openeye Name: 1-[5-methylsulfanyl-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]ethanone CAS Name: 1-[5-(methylthio)-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]ethanone IUPAC Name: 1-[5-methylsulfanyl-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]ethanone Traditional Name: 1-[5-(methylthio)-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]ethanone Formula: C11H10N4O3S MolecularWeight: 278.2871

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])SC

Isomeric SMILES

CC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])SC

InChI

InChI=1S/C11H10N4O3S/c1-7(16)14-11(19-2)12-10(13-14)8-3-5-9(6-4-8)15(17)18/h3-6H,1-2H3