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

Systemtic Name: 4-cyclohexyl-3-(2-fluorophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-(2-fluorophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(2-fluorophenyl)-5-[(3-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-(2-fluorophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-(2-fluorophenyl)-5-[(3-nitrobenzyl)thio]-1,2,4-triazole Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4F

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4F

InChI

InChI=1S/C21H21FN4O2S/c22-19-12-5-4-11-18(19)20-23-24-21(25(20)16-8-2-1-3-9-16)29-14-15-7-6-10-17(13-15)26(27)28/h4-7,10-13,16H,1-3,8-9,14H2