3-[(3-bromanylphenoxy)methyl]-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(3-bromanylphenoxy)methyl]-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(3-bromophenoxy)methyl]-5-[2-(2-pyridyl)ethylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(3-bromophenoxy)methyl]-5-[2-(2-pyridinyl)ethylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-bromophenoxy)methyl]-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(3-bromophenoxy)methyl]-5-[2-(2-pyridyl)ethylthio]-1,2,4-triazol-4-yl]amine Formula: C16H16BrN5OS MolecularWeight: 406.30014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCSC2=NN=C(N2N)COC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=NC(=C1)CCSC2=NN=C(N2N)COC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H16BrN5OS/c17-12-4-3-6-14(10-12)23-11-15-20-21-16(22(15)18)24-9-7-13-5-1-2-8-19-13/h1-6,8,10H,7,9,11,18H2