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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(2-methoxyethyl)-5-(3-nitrophenyl)-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(2-methoxyethyl)-5-(3-nitrophenyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-(2-methoxyethyl)-5-(3-nitrophenyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(2-methoxyethyl)-5-(3-nitrophenyl)-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4-(2-methoxyethyl)-5-(3-nitrophenyl)-1,2,4-triazole Formula: C18H17BrN4O3S MolecularWeight: 449.32158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COCCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17BrN4O3S/c1-26-10-9-22-17(14-3-2-4-16(11-14)23(24)25)20-21-18(22)27-12-13-5-7-15(19)8-6-13/h2-8,11H,9-10,12H2,1H3