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

Systemtic Name: ethyl 2-[5-(4-fluoranyl-2-nitro-phenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-(4-fluoro-2-nitro-phenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[5-[(4-fluoro-2-nitrophenyl)thio]-4-methyl-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(4-fluoro-2-nitrophenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-[(4-fluoro-2-nitro-phenyl)thio]-4-methyl-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C13H13FN4O4S MolecularWeight: 340.330123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C)SC2=C(C=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C)SC2=C(C=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C13H13FN4O4S/c1-3-22-12(19)7-11-15-16-13(17(11)2)23-10-5-4-8(14)6-9(10)18(20)21/h4-6H,3,7H2,1-2H3