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

Systemtic Name: 3-[4-methyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-methyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-methyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-methyl-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,2,4-triazol-3-yl]propionamide Formula: C13H12F3N5O3S MolecularWeight: 375.32629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12F3N5O3S/c1-20-11(5-4-10(17)22)18-19-12(20)25-9-3-2-7(13(14,15)16)6-8(9)21(23)24/h2-3,6H,4-5H2,1H3,(H2,17,22)