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

Systemtic Name: 3,4-dicyclopropyl-5-(4-fluoranyl-2-nitro-phenyl)sulfanyl-1,2,4-triazole Openeye Name: 3,4-dicyclopropyl-5-(4-fluoro-2-nitro-phenyl)sulfanyl-1,2,4-triazole CAS Name: 3,4-dicyclopropyl-5-[(4-fluoro-2-nitrophenyl)thio]-1,2,4-triazole IUPAC Name: 3,4-dicyclopropyl-5-(4-fluoro-2-nitrophenyl)sulfanyl-1,2,4-triazole Traditional Name: 3,4-dicyclopropyl-5-[(4-fluoro-2-nitro-phenyl)thio]-1,2,4-triazole Formula: C14H13FN4O2S MolecularWeight: 320.342023

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SC4=C(C=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SC4=C(C=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C14H13FN4O2S/c15-9-3-6-12(11(7-9)19(20)21)22-14-17-16-13(8-1-2-8)18(14)10-4-5-10/h3,6-8,10H,1-2,4-5H2