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

Systemtic Name: N-[[5-[(2S)-butan-2-yl]sulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-cyclohexyl-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-cyclohexyl-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[5-[(2S)-butan-2-yl]sulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-cyclohexyl-5-[[(1S)-1-methylpropyl]thio]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C24H38N4OS MolecularWeight: 430.64972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(N1C2CCCCC2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC[C@H](C)SC1=NN=C(N1C2CCCCC2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H38N4OS/c1-3-16(2)30-23-27-26-21(28(23)20-7-5-4-6-8-20)15-25-22(29)24-12-17-9-18(13-24)11-19(10-17)14-24/h16-20H,3-15H2,1-2H3,(H,25,29)/t16-,17?,18?,19?,24?/m0/s1