2-[[5-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-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-(6-methyl-1,3-benzothiazol-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-(6-methyl-1,3-benzothiazol-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-(6-methyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-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-(6-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C23H18FN7O3S2 MolecularWeight: 523.562523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)F)CC5=CC(=O)NC(=O)N5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)F)CC5=CC(=O)NC(=O)N5

InChI

InChI=1S/C23H18FN7O3S2/c1-12-2-7-16-17(8-12)36-22(26-16)28-20(33)11-35-23-30-29-18(9-14-10-19(32)27-21(34)25-14)31(23)15-5-3-13(24)4-6-15/h2-8,10H,9,11H2,1H3,(H,26,28,33)(H2,25,27,32,34)