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

Systemtic Name: 2-[[5-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-thiazol-2-yl-acetamide CAS Name: 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-thiazolyl)acetamide IUPAC Name: 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide Traditional Name: 2-[[5-[(2,4-diketo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-thiazol-2-yl-acetamide Formula: C18H14FN7O3S2 MolecularWeight: 459.477263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=NN=C2SCC(=O)NC3=NC=CS3)CC4=CC(=O)NC(=O)N4)F

Isomeric SMILES

C1=CC(=CC=C1N2C(=NN=C2SCC(=O)NC3=NC=CS3)CC4=CC(=O)NC(=O)N4)F

InChI

InChI=1S/C18H14FN7O3S2/c19-10-1-3-12(4-2-10)26-13(7-11-8-14(27)22-16(29)21-11)24-25-18(26)31-9-15(28)23-17-20-5-6-30-17/h1-6,8H,7,9H2,(H,20,23,28)(H2,21,22,27,29)