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

Systemtic Name: 3-(2-chlorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(2-chlorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole CAS Name: 3-(2-chlorophenyl)-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(2-chlorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(2-chlorophenyl)-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,2,4-triazole Formula: C18H12ClF3N4O2S MolecularWeight: 440.82669

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=CC=CC=C3Cl

Isomeric SMILES

C=CCN1C(=NN=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=CC=CC=C3Cl

InChI

InChI=1S/C18H12ClF3N4O2S/c1-2-9-25-16(12-5-3-4-6-13(12)19)23-24-17(25)29-15-8-7-11(18(20,21)22)10-14(15)26(27)28/h2-8,10H,1,9H2