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

Systemtic Name: N-[[4-ethyl-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-ethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-ethyl-5-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-ethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-ethyl-5-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C28H38N6O2S MolecularWeight: 522.70532

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H38N6O2S/c1-2-34-24(18-29-26(36)28-15-20-12-21(16-28)14-22(13-20)17-28)30-31-27(34)37-19-25(35)33-10-8-32(9-11-33)23-6-4-3-5-7-23/h3-7,20-22H,2,8-19H2,1H3,(H,29,36)