2-[[5-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide

Systemtic Name: 2-[[5-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-[(2,4-diketo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H20N6O5S MolecularWeight: 492.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)CC5=CC(=O)NC(=O)N5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)CC5=CC(=O)NC(=O)N5

InChI

InChI=1S/C23H20N6O5S/c30-20-12-15(25-22(32)26-20)11-19-27-28-23(29(19)16-4-2-1-3-5-16)35-13-21(31)24-14-6-7-17-18(10-14)34-9-8-33-17/h1-7,10,12H,8-9,11,13H2,(H,24,31)(H2,25,26,30,32)