(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)hexanamide

Systemtic Name: (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)hexanamide Openeye Name: (2S)-N-(5-methylisoxazol-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)hexanamide CAS Name: (2S)-N-(5-methyl-3-isoxazolyl)-2-(1H-1,2,4-triazol-5-ylthio)hexanamide IUPAC Name: (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)hexanamide Traditional Name: (2S)-N-(5-methylisoxazol-3-yl)-2-(1H-1,2,4-triazol-5-ylthio)hexanamide Formula: C12H17N5O2S MolecularWeight: 295.36068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=NOC(=C1)C)SC2=NC=NN2

Isomeric SMILES

CCCC[C@@H](C(=O)NC1=NOC(=C1)C)SC2=NC=NN2

InChI

InChI=1S/C12H17N5O2S/c1-3-4-5-9(20-12-13-7-14-16-12)11(18)15-10-6-8(2)19-17-10/h6-7,9H,3-5H2,1-2H3,(H,13,14,16)(H,15,17,18)/t9-/m0/s1