3-[(3-bromanylphenoxy)methyl]-5-[(4-phenylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-[(3-bromanylphenoxy)methyl]-5-[(4-phenylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(3-bromophenoxy)methyl]-5-[(4-phenylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(3-bromophenoxy)methyl]-5-[(4-phenylphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-bromophenoxy)methyl]-5-[(4-phenylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(3-bromophenoxy)methyl]-5-[(4-phenylbenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C22H19BrN4OS MolecularWeight: 467.38146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CSC3=NN=C(N3N)COC4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CSC3=NN=C(N3N)COC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H19BrN4OS/c23-19-7-4-8-20(13-19)28-14-21-25-26-22(27(21)24)29-15-16-9-11-18(12-10-16)17-5-2-1-3-6-17/h1-13H,14-15,24H2