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

Systemtic Name: N-[[4-butyl-5-[(5-methyl-1,2-oxazol-3-yl)sulfanyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-butyl-5-(5-methylisoxazol-3-yl)sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-butyl-5-[(5-methyl-3-isoxazolyl)thio]-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-butyl-5-[(5-methyl-1,2-oxazol-3-yl)sulfanyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-butyl-5-[(5-methylisoxazol-3-yl)thio]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SC2=NOC(=C2)C)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCN1C(=NN=C1SC2=NOC(=C2)C)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H31N5O2S/c1-3-4-5-27-18(24-25-21(27)30-19-6-14(2)29-26-19)13-23-20(28)22-10-15-7-16(11-22)9-17(8-15)12-22/h6,15-17H,3-5,7-13H2,1-2H3,(H,23,28)