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

Systemtic Name: N-[[4-butyl-5-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-butyl-5-[2-(2,5-dimethylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-butyl-5-[[2-(2,5-dimethylanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-butyl-5-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-butyl-5-[[2-(2,5-dimethylanilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C28H39N5O2S MolecularWeight: 509.70656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C)C)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C)C)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H39N5O2S/c1-4-5-8-33-24(16-29-26(35)28-13-20-10-21(14-28)12-22(11-20)15-28)31-32-27(33)36-17-25(34)30-23-9-18(2)6-7-19(23)3/h6-7,9,20-22H,4-5,8,10-17H2,1-3H3,(H,29,35)(H,30,34)