2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-bromanylphenoxy)ethyl]-N-methyl-ethanamide

Systemtic Name: 2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-bromanylphenoxy)ethyl]-N-methyl-ethanamide Openeye Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-bromophenoxy)ethyl]-N-methyl-acetamide CAS Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-[2-(4-bromophenoxy)ethyl]-N-methylacetamide IUPAC Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-bromophenoxy)ethyl]-N-methylacetamide Traditional Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-[2-(4-bromophenoxy)ethyl]-N-methyl-acetamide Formula: C13H16BrN5O2S MolecularWeight: 386.26744

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)Br)C(=O)CSC2=NN=CN2N

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)Br)C(=O)CSC2=NN=CN2N

InChI

InChI=1S/C13H16BrN5O2S/c1-18(6-7-21-11-4-2-10(14)3-5-11)12(20)8-22-13-17-16-9-19(13)15/h2-5,9H,6-8,15H2,1H3