N-[[5-[2-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-fluoranyl-benzamide

Systemtic Name: N-[[5-[2-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-fluoranyl-benzamide Openeye Name: N-[[5-[2-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide CAS Name: N-[[5-[[2-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide IUPAC Name: N-[[5-[2-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide Traditional Name: N-[[5-[[2-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide Formula: C30H28BrFN6O4S MolecularWeight: 667.548523

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Br)C4=C(C(=CC=C4)OC)OC)CNC(=O)C5=CC=CC=C5F

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Br)C4=C(C(=CC=C4)OC)OC)CNC(=O)C5=CC=CC=C5F

InChI

InChI=1S/C30H28BrFN6O4S/c1-37-26(16-33-29(40)20-7-4-5-9-22(20)32)34-35-30(37)43-17-27(39)38-24(21-8-6-10-25(41-2)28(21)42-3)15-23(36-38)18-11-13-19(31)14-12-18/h4-14,24H,15-17H2,1-3H3,(H,33,40)