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

Systemtic Name: 3-[(3-bromanylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3-bromophenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(3-bromophenoxy)methyl]-5-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3-bromophenoxy)methyl]-5-[(4-nitrobenzyl)thio]-4-phenyl-1,2,4-triazole Formula: C22H17BrN4O3S MolecularWeight: 497.36438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])COC4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])COC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H17BrN4O3S/c23-17-5-4-8-20(13-17)30-14-21-24-25-22(26(21)18-6-2-1-3-7-18)31-15-16-9-11-19(12-10-16)27(28)29/h1-13H,14-15H2