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

Systemtic Name: N-[[5-[(2S)-butan-2-yl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-ethyl-5-[(1S)-1-methylpropyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[5-[[(2S)-butan-2-yl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[5-[(2S)-butan-2-yl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-ethyl-5-[[(1S)-1-methylpropyl]thio]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C20H32N4OS MolecularWeight: 376.55928

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(N1CC)CNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC[C@H](C)SC1=NN=C(N1CC)CNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H32N4OS/c1-4-13(3)26-19-23-22-17(24(19)5-2)12-21-18(25)20-9-14-6-15(10-20)8-16(7-14)11-20/h13-16H,4-12H2,1-3H3,(H,21,25)/t13-,14?,15?,16?,20?/m0/s1