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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2Br)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2Br)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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