N-[4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]phenyl]hexanamide

Systemtic Name: N-[4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]phenyl]hexanamide Openeye Name: N-[4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]phenyl]hexanamide CAS Name: N-[4-[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]phenyl]hexanamide IUPAC Name: N-[4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]phenyl]hexanamide Traditional Name: N-[4-[2-(1H-1,2,4-triazol-5-ylthio)acetyl]phenyl]hexanamide Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=NN2

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=NN2

InChI

InChI=1S/C16H20N4O2S/c1-2-3-4-5-15(22)19-13-8-6-12(7-9-13)14(21)10-23-16-17-11-18-20-16/h6-9,11H,2-5,10H2,1H3,(H,19,22)(H,17,18,20)