3-(3-bromophenyl)-5-(2-chloranyl-4-nitro-phenyl)sulfanyl-4-ethyl-1,2,4-triazole

Systemtic Name: 3-(3-bromophenyl)-5-(2-chloranyl-4-nitro-phenyl)sulfanyl-4-ethyl-1,2,4-triazole Openeye Name: 3-(3-bromophenyl)-5-(2-chloro-4-nitro-phenyl)sulfanyl-4-ethyl-1,2,4-triazole CAS Name: 3-(3-bromophenyl)-5-[(2-chloro-4-nitrophenyl)thio]-4-ethyl-1,2,4-triazole IUPAC Name: 3-(3-bromophenyl)-5-(2-chloro-4-nitrophenyl)sulfanyl-4-ethyl-1,2,4-triazole Traditional Name: 3-(3-bromophenyl)-5-[(2-chloro-4-nitro-phenyl)thio]-4-ethyl-1,2,4-triazole Formula: C16H12BrClN4O2S MolecularWeight: 439.71408

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC(=CC=C3)Br

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC(=CC=C3)Br

InChI

InChI=1S/C16H12BrClN4O2S/c1-2-21-15(10-4-3-5-11(17)8-10)19-20-16(21)25-14-7-6-12(22(23)24)9-13(14)18/h3-9H,2H2,1H3