4-(4-fluorophenyl)-3-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-(4-fluorophenyl)-3-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-(4-fluorophenyl)-3-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-(4-fluorophenyl)-3-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-(4-fluorophenyl)-3-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-(4-fluorophenyl)-3-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C16H13FN4O2S MolecularWeight: 344.363423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)F)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)F)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13FN4O2S/c1-11-18-19-16(20(11)14-8-4-13(17)5-9-14)24-10-12-2-6-15(7-3-12)21(22)23/h2-9H,10H2,1H3