2-(4-bromanylphenoxy)-N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)ethanamide Openeye Name: 2-(4-bromophenoxy)-N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)acetamide CAS Name: 2-(4-bromophenoxy)-N-[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-(4-bromophenoxy)-N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)acetamide Traditional Name: 2-(4-bromophenoxy)-N-[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]acetamide Formula: C13H15BrN4O2S MolecularWeight: 371.2528

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NC(=O)COC2=CC=C(C=C2)Br)C

Isomeric SMILES

CCSC1=NN=C(N1NC(=O)COC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C13H15BrN4O2S/c1-3-21-13-16-15-9(2)18(13)17-12(19)8-20-11-6-4-10(14)5-7-11/h4-7H,3,8H2,1-2H3,(H,17,19)