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

Systemtic Name: N-[[4-butyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[5-(2-anilino-2-oxo-ethyl)sulfanyl-4-butyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[5-[(2-anilino-2-oxoethyl)thio]-4-butyl-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[5-(2-anilino-2-oxoethyl)sulfanyl-4-butyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[5-[(2-anilino-2-keto-ethyl)thio]-4-butyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C26H35N5O2S MolecularWeight: 481.6534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N5O2S/c1-2-3-9-31-22(29-30-25(31)34-17-23(32)28-21-7-5-4-6-8-21)16-27-24(33)26-13-18-10-19(14-26)12-20(11-18)15-26/h4-8,18-20H,2-3,9-17H2,1H3,(H,27,33)(H,28,32)