2-[2-bromanyl-6-ethoxy-4-[[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]ethanamide

Systemtic Name: 2-[2-bromanyl-6-ethoxy-4-[[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]ethanamide Openeye Name: 2-[2-bromo-6-ethoxy-4-[[(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]acetamide CAS Name: 2-[2-bromo-6-ethoxy-4-[[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]acetamide IUPAC Name: 2-[2-bromo-6-ethoxy-4-[[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]acetamide Traditional Name: 2-[2-bromo-6-ethoxy-4-[[(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]acetamide Formula: C19H20BrN5O3S MolecularWeight: 478.3628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNN2C(=NNC2=S)C3=CC=CC=C3)Br)OCC(=O)N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNN2C(=NNC2=S)C3=CC=CC=C3)Br)OCC(=O)N

InChI

InChI=1S/C19H20BrN5O3S/c1-2-27-15-9-12(8-14(20)17(15)28-11-16(21)26)10-22-25-18(23-24-19(25)29)13-6-4-3-5-7-13/h3-9,22H,2,10-11H2,1H3,(H2,21,26)(H,24,29)