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

Systemtic Name: N-[[4-butyl-5-[2-oxidanylidene-2-(thiophen-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-butyl-5-[2-oxo-2-(2-thienylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-butyl-5-[[2-oxo-2-(thiophen-2-ylamino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-butyl-5-[2-oxo-2-(thiophen-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-butyl-5-[[2-keto-2-(2-thienylamino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C24H33N5O2S2 MolecularWeight: 487.68112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC2=CC=CS2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC2=CC=CS2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H33N5O2S2/c1-2-3-6-29-19(27-28-23(29)33-15-20(30)26-21-5-4-7-32-21)14-25-22(31)24-11-16-8-17(12-24)10-18(9-16)13-24/h4-5,7,16-18H,2-3,6,8-15H2,1H3,(H,25,31)(H,26,30)