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

Systemtic Name: N-[[5-[2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[5-[2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[5-[[2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[5-[2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[5-[[2-[3-(4-bromophenyl)-5-(4-fluorophenyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitro-benzamide Formula: C29H25BrFN7O4S MolecularWeight: 666.520703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NN=C(N2C)SCC(=O)N3C(CC(=N3)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NN=C(N2C)SCC(=O)N3C(CC(=N3)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H25BrFN7O4S/c1-17-22(4-3-5-24(17)38(41)42)28(40)32-15-26-33-34-29(36(26)2)43-16-27(39)37-25(19-8-12-21(31)13-9-19)14-23(35-37)18-6-10-20(30)11-7-18/h3-13,25H,14-16H2,1-2H3,(H,32,40)