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

Systemtic Name: 3-[5-(4-fluoranyl-2-nitro-phenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-(4-fluoro-2-nitro-phenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(4-fluoro-2-nitrophenyl)thio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-(4-fluoro-2-nitrophenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(4-fluoro-2-nitro-phenyl)thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C12H12FN5O3S MolecularWeight: 325.318783

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)F)[N+](=O)[O-])CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)F)[N+](=O)[O-])CCC(=O)N

InChI

InChI=1S/C12H12FN5O3S/c1-17-11(5-4-10(14)19)15-16-12(17)22-9-3-2-7(13)6-8(9)18(20)21/h2-3,6H,4-5H2,1H3,(H2,14,19)