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

Systemtic Name: N-[[5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]ethanamide Openeye Name: N-[[5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]acetamide CAS Name: N-[[5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]acetamide IUPAC Name: N-[[5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]acetamide Traditional Name: N-[[5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]acetamide Formula: C18H14F3N5O3S MolecularWeight: 437.39567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14F3N5O3S/c1-11(27)22-10-16-23-24-17(25(16)13-5-3-2-4-6-13)30-15-8-7-12(18(19,20)21)9-14(15)26(28)29/h2-9H,10H2,1H3,(H,22,27)