3-(4-bromophenyl)-4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(4-bromophenyl)-4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-bromophenyl)-4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-bromophenyl)-4-ethyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-bromophenyl)-4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-bromophenyl)-4-ethyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C17H15BrN4O2S MolecularWeight: 419.2956

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Br

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H15BrN4O2S/c1-2-21-16(13-5-7-14(18)8-6-13)19-20-17(21)25-11-12-3-9-15(10-4-12)22(23)24/h3-10H,2,11H2,1H3