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

Systemtic Name: N-[[5-[2-oxidanylidene-2-(thiophen-2-ylamino)ethyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[5-[2-oxo-2-(2-thienylamino)ethyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[5-[[2-oxo-2-(thiophen-2-ylamino)ethyl]thio]-4-phenethyl-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[5-[2-oxo-2-(thiophen-2-ylamino)ethyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[5-[[2-keto-2-(2-thienylamino)ethyl]thio]-4-phenethyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C28H33N5O2S2 MolecularWeight: 535.72392

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4CCC5=CC=CC=C5)SCC(=O)NC6=CC=CS6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4CCC5=CC=CC=C5)SCC(=O)NC6=CC=CS6

InChI

InChI=1S/C28H33N5O2S2/c34-24(30-25-7-4-10-36-25)18-37-27-32-31-23(33(27)9-8-19-5-2-1-3-6-19)17-29-26(35)28-14-20-11-21(15-28)13-22(12-20)16-28/h1-7,10,20-22H,8-9,11-18H2,(H,29,35)(H,30,34)