4-[2,3-bis(bromanyl)propyl]-3-ethylsulfanyl-5-(4-nitrophenyl)-1,2,4-triazole

Systemtic Name: 4-[2,3-bis(bromanyl)propyl]-3-ethylsulfanyl-5-(4-nitrophenyl)-1,2,4-triazole Openeye Name: 4-(2,3-dibromopropyl)-3-ethylsulfanyl-5-(4-nitrophenyl)-1,2,4-triazole CAS Name: 4-(2,3-dibromopropyl)-3-(ethylthio)-5-(4-nitrophenyl)-1,2,4-triazole IUPAC Name: 4-(2,3-dibromopropyl)-3-ethylsulfanyl-5-(4-nitrophenyl)-1,2,4-triazole Traditional Name: 4-(2,3-dibromopropyl)-3-(ethylthio)-5-(4-nitrophenyl)-1,2,4-triazole Formula: C13H14Br2N4O2S MolecularWeight: 450.14886

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1CC(CBr)Br)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NN=C(N1CC(CBr)Br)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14Br2N4O2S/c1-2-22-13-17-16-12(18(13)8-10(15)7-14)9-3-5-11(6-4-9)19(20)21/h3-6,10H,2,7-8H2,1H3