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

Systemtic Name: 2-[2-bromanyl-6-methoxy-4-[[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]ethanamide Openeye Name: 2-[2-bromo-6-methoxy-4-[[[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methyl]phenoxy]acetamide CAS Name: 2-[2-bromo-6-methoxy-4-[[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]acetamide IUPAC Name: 2-[2-bromo-6-methoxy-4-[[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]acetamide Traditional Name: 2-[2-bromo-6-methoxy-4-[[[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methyl]phenoxy]acetamide Formula: C17H17BrN6O3S MolecularWeight: 465.32428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN6O3S/c1-26-13-7-10(6-12(18)15(13)27-9-14(19)25)8-21-24-16(22-23-17(24)28)11-2-4-20-5-3-11/h2-7,21H,8-9H2,1H3,(H2,19,25)(H,23,28)