2-[2-bromanyl-6-ethoxy-4-[[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]ethanamide

Systemtic Name: 2-[2-bromanyl-6-ethoxy-4-[[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]ethanamide Openeye Name: 2-[2-bromo-6-ethoxy-4-[[(5-thioxo-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]acetamide CAS Name: 2-[2-bromo-6-ethoxy-4-[[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]acetamide IUPAC Name: 2-[2-bromo-6-ethoxy-4-[[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]acetamide Traditional Name: 2-[2-bromo-6-ethoxy-4-[[(5-thioxo-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]acetamide Formula: C13H16BrN5O3S MolecularWeight: 402.26684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNN2C=NNC2=S)Br)OCC(=O)N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNN2C=NNC2=S)Br)OCC(=O)N

InChI

InChI=1S/C13H16BrN5O3S/c1-2-21-10-4-8(5-17-19-7-16-18-13(19)23)3-9(14)12(10)22-6-11(15)20/h3-4,7,17H,2,5-6H2,1H3,(H2,15,20)(H,18,23)