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

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

Isomeric SMILES

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

InChI

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