5-(2-cyclopentylethyl)-3-(4-fluoranyl-2-nitro-phenyl)sulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-(2-cyclopentylethyl)-3-(4-fluoranyl-2-nitro-phenyl)sulfanyl-1H-1,2,4-triazole Openeye Name: 5-(2-cyclopentylethyl)-3-(4-fluoro-2-nitro-phenyl)sulfanyl-1H-1,2,4-triazole CAS Name: 5-(2-cyclopentylethyl)-3-[(4-fluoro-2-nitrophenyl)thio]-1H-1,2,4-triazole IUPAC Name: 5-(2-cyclopentylethyl)-3-(4-fluoro-2-nitrophenyl)sulfanyl-1H-1,2,4-triazole Traditional Name: 5-(2-cyclopentylethyl)-3-[(4-fluoro-2-nitro-phenyl)thio]-1H-1,2,4-triazole Formula: C15H17FN4O2S MolecularWeight: 336.384483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC2=NC(=NN2)SC3=C(C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)CCC2=NC(=NN2)SC3=C(C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C15H17FN4O2S/c16-11-6-7-13(12(9-11)20(21)22)23-15-17-14(18-19-15)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2,(H,17,18,19)