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

Systemtic Name: 2-[[5-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl]-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[4-(4-chlorophenyl)-5-[(2,4-diketo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]thio]-N-(4-fluorophenyl)acetamide Formula: C21H16ClFN6O3S MolecularWeight: 486.906543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CC4=CC(=O)NC(=O)N4)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CC4=CC(=O)NC(=O)N4)F

InChI

InChI=1S/C21H16ClFN6O3S/c22-12-1-7-16(8-2-12)29-17(9-15-10-18(30)26-20(32)25-15)27-28-21(29)33-11-19(31)24-14-5-3-13(23)4-6-14/h1-8,10H,9,11H2,(H,24,31)(H2,25,26,30,32)