N-[(4-butyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide

Systemtic Name: N-[(4-butyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide Openeye Name: N-[(4-butyl-5-isopropylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide CAS Name: N-[[4-butyl-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[(4-butyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide Traditional Name: N-[[4-butyl-5-(isopropylthio)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C21H34N4OS MolecularWeight: 390.58586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SC(C)C)CNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCN1C(=NN=C1SC(C)C)CNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H34N4OS/c1-4-5-6-25-18(23-24-20(25)27-14(2)3)13-22-19(26)21-10-15-7-16(11-21)9-17(8-15)12-21/h14-17H,4-13H2,1-3H3,(H,22,26)