3-[(4-bromophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-bromophenyl)methylthio]-5-(phenoxymethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-bromobenzyl)thio]-5-(phenoxymethyl)-1,2,4-triazol-4-yl]amine Formula: C16H15BrN4OS MolecularWeight: 391.2855

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H15BrN4OS/c17-13-8-6-12(7-9-13)11-23-16-20-19-15(21(16)18)10-22-14-4-2-1-3-5-14/h1-9H,10-11,18H2