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

Systemtic Name: 2-[2-bromanyl-6-ethoxy-4-[[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]ethanamide Openeye Name: 2-[2-bromo-6-ethoxy-4-[[[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methyl]phenoxy]acetamide CAS Name: 2-[2-bromo-6-ethoxy-4-[[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]acetamide IUPAC Name: 2-[2-bromo-6-ethoxy-4-[[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]acetamide Traditional Name: 2-[2-bromo-6-ethoxy-4-[[[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methyl]phenoxy]acetamide Formula: C18H19BrN6O3S MolecularWeight: 479.35086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN6O3S/c1-2-27-14-8-11(7-13(19)16(14)28-10-15(20)26)9-22-25-17(23-24-18(25)29)12-3-5-21-6-4-12/h3-8,22H,2,9-10H2,1H3,(H2,20,26)(H,24,29)