3-[5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]propan-1-ol

Systemtic Name: 3-[5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]propan-1-ol Openeye Name: 3-[5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]propan-1-ol CAS Name: 3-[5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-4-phenyl-1,2,4-triazol-3-yl]-1-propanol IUPAC Name: 3-[5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]propan-1-ol Traditional Name: 3-[5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-4-phenyl-1,2,4-triazol-3-yl]propan-1-ol Formula: C18H15F3N4O3S MolecularWeight: 424.39691

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])CCCO

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])CCCO

InChI

InChI=1S/C18H15F3N4O3S/c19-18(20,21)12-8-9-15(14(11-12)25(27)28)29-17-23-22-16(7-4-10-26)24(17)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,26H,4,7,10H2