4-bromanyl-N-[[4-methyl-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 4-bromanyl-N-[[4-methyl-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-bromo-N-[[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-bromo-N-[[4-methyl-5-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-bromo-N-[[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-bromo-N-[[5-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide Formula: C23H25BrN6O2S MolecularWeight: 529.4526

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H25BrN6O2S/c1-28-20(15-25-22(32)17-7-9-18(24)10-8-17)26-27-23(28)33-16-21(31)30-13-11-29(12-14-30)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,25,32)