N-[[4-(4-iodophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]methyl]ethanamide

Systemtic Name: N-[[4-(4-iodophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]methyl]ethanamide Openeye Name: N-[[4-(4-iodophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide CAS Name: N-[[4-(4-iodophenyl)-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,2,4-triazol-3-yl]methyl]acetamide IUPAC Name: N-[[4-(4-iodophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide Traditional Name: N-[[4-(4-iodophenyl)-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,2,4-triazol-3-yl]methyl]acetamide Formula: C18H13F3IN5O3S MolecularWeight: 563.2922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=NN=C(N1C2=CC=C(C=C2)I)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCC1=NN=C(N1C2=CC=C(C=C2)I)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H13F3IN5O3S/c1-10(28)23-9-16-24-25-17(26(16)13-5-3-12(22)4-6-13)31-15-7-2-11(18(19,20)21)8-14(15)27(29)30/h2-8H,9H2,1H3,(H,23,28)