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

Systemtic Name: 2-[2-bromanyl-6-ethoxy-4-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]-N-cyclohexyl-ethanamide Openeye Name: 2-[2-bromo-6-ethoxy-4-[[(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]-N-cyclohexyl-acetamide CAS Name: 2-[2-bromo-6-ethoxy-4-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]-N-cyclohexylacetamide IUPAC Name: 2-[2-bromo-6-ethoxy-4-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]-N-cyclohexylacetamide Traditional Name: 2-[2-bromo-6-ethoxy-4-[[(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methyl]phenoxy]-N-cyclohexyl-acetamide Formula: C20H28BrN5O3S MolecularWeight: 498.43702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNN2C(=NNC2=S)C)Br)OCC(=O)NC3CCCCC3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNN2C(=NNC2=S)C)Br)OCC(=O)NC3CCCCC3

InChI

InChI=1S/C20H28BrN5O3S/c1-3-28-17-10-14(11-22-26-13(2)24-25-20(26)30)9-16(21)19(17)29-12-18(27)23-15-7-5-4-6-8-15/h9-10,15,22H,3-8,11-12H2,1-2H3,(H,23,27)(H,25,30)