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

Systemtic Name: 3-(4-methoxyphenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4-methoxyphenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole CAS Name: 3-(4-methoxyphenyl)-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4-methoxyphenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(4-methoxyphenyl)-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,2,4-triazole Formula: C19H15F3N4O3S MolecularWeight: 436.40761

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H15F3N4O3S/c1-3-10-25-17(12-4-7-14(29-2)8-5-12)23-24-18(25)30-16-9-6-13(19(20,21)22)11-15(16)26(27)28/h3-9,11H,1,10H2,2H3