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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole Traditional Name: 3-[(3-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=C2)Br)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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