2-[[5-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)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-(3-fluorophenyl)ethanamide Openeye Name: 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[[5-[(2,4-diketo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(3-fluorophenyl)acetamide Formula: C21H16F2N6O3S MolecularWeight: 470.451946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC(=O)NC(=O)N4

Isomeric SMILES

C1=CC(=CC(=C1)F)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC(=O)NC(=O)N4

InChI

InChI=1S/C21H16F2N6O3S/c22-12-4-6-16(7-5-12)29-17(9-15-10-18(30)26-20(32)25-15)27-28-21(29)33-11-19(31)24-14-3-1-2-13(23)8-14/h1-8,10H,9,11H2,(H,24,31)(H2,25,26,30,32)