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

Systemtic Name: N-[[5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]ethanamide Openeye Name: N-[[4-benzyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide CAS Name: N-[[5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]acetamide IUPAC Name: N-[[4-benzyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide Traditional Name: N-[[4-benzyl-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,2,4-triazol-3-yl]methyl]acetamide Formula: C19H16F3N5O3S MolecularWeight: 451.42225

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=NN=C(N1CC2=CC=CC=C2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCC1=NN=C(N1CC2=CC=CC=C2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H16F3N5O3S/c1-12(28)23-10-17-24-25-18(26(17)11-13-5-3-2-4-6-13)31-16-8-7-14(19(20,21)22)9-15(16)27(29)30/h2-9H,10-11H2,1H3,(H,23,28)