3-cyclopropyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-phenyl-1,2,4-triazole

Systemtic Name: 3-cyclopropyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-phenyl-1,2,4-triazole Openeye Name: 3-cyclopropyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-phenyl-1,2,4-triazole CAS Name: 3-cyclopropyl-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-cyclopropyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-phenyl-1,2,4-triazole Traditional Name: 3-cyclopropyl-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-4-phenyl-1,2,4-triazole Formula: C18H13F3N4O2S MolecularWeight: 406.38163

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H13F3N4O2S/c19-18(20,21)12-8-9-15(14(10-12)25(26)27)28-17-23-22-16(11-6-7-11)24(17)13-4-2-1-3-5-13/h1-5,8-11H,6-7H2