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

Systemtic Name: 3-(4-bromophenyl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-bromophenyl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-bromophenyl)-4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-bromophenyl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-bromophenyl)-4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C16H13BrN4O2S MolecularWeight: 405.26902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Br

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H13BrN4O2S/c1-20-15(12-4-6-13(17)7-5-12)18-19-16(20)24-10-11-2-8-14(9-3-11)21(22)23/h2-9H,10H2,1H3