N-[(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide

Systemtic Name: N-[(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide Openeye Name: N-[(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide CAS Name: N-[[4-ethyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide Traditional Name: N-[[4-ethyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H30N4O2S/c1-2-28-21(26-27-23(28)31-15-20(29)19-6-4-3-5-7-19)14-25-22(30)24-11-16-8-17(12-24)10-18(9-16)13-24/h3-7,16-18H,2,8-15H2,1H3,(H,25,30)