N-[4-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]hexanamide

Systemtic Name: N-[4-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]hexanamide Openeye Name: N-[4-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]hexanamide CAS Name: N-[4-[1-oxo-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]phenyl]hexanamide IUPAC Name: N-[4-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]hexanamide Traditional Name: N-[4-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]phenyl]hexanamide Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C20H22N4O2S2/c1-2-3-4-7-18(26)21-15-10-8-14(9-11-15)16(25)13-28-20-22-19(23-24-20)17-6-5-12-27-17/h5-6,8-12H,2-4,7,13H2,1H3,(H,21,26)(H,22,23,24)