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

Systemtic Name: 2-[2-bromanyl-6-methoxy-4-[[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]ethanamide Openeye Name: 2-[2-bromo-6-methoxy-4-[[(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]acetamide CAS Name: 2-[2-bromo-6-methoxy-4-[[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]acetamide IUPAC Name: 2-[2-bromo-6-methoxy-4-[[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]acetamide Traditional Name: 2-[2-bromo-6-methoxy-4-[[(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]acetamide Formula: C18H18BrN5O3S MolecularWeight: 464.33622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNN2C(=NNC2=S)C3=CC=CC=C3)Br)OCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)CNN2C(=NNC2=S)C3=CC=CC=C3)Br)OCC(=O)N

InChI

InChI=1S/C18H18BrN5O3S/c1-26-14-8-11(7-13(19)16(14)27-10-15(20)25)9-21-24-17(22-23-18(24)28)12-5-3-2-4-6-12/h2-8,21H,9-10H2,1H3,(H2,20,25)(H,23,28)