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

Systemtic Name: N-[[4-cyclohexyl-5-[2-oxidanylidene-2-(thiophen-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-cyclohexyl-5-[2-oxo-2-(2-thienylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-cyclohexyl-5-[[2-oxo-2-(thiophen-2-ylamino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-cyclohexyl-5-[2-oxo-2-(thiophen-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-cyclohexyl-5-[[2-keto-2-(2-thienylamino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C26H35N5O2S2 MolecularWeight: 513.7184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC=CS3)CNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC=CS3)CNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H35N5O2S2/c32-22(28-23-7-4-8-34-23)16-35-25-30-29-21(31(25)20-5-2-1-3-6-20)15-27-24(33)26-12-17-9-18(13-26)11-19(10-17)14-26/h4,7-8,17-20H,1-3,5-6,9-16H2,(H,27,33)(H,28,32)