N-heptan-2-yl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-heptan-2-yl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-methylhexyl)-2-[[5-[(E)-2-(2-thienyl)vinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-heptan-2-yl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-heptan-2-yl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-methylhexyl)-2-[[5-[(E)-2-(2-thienyl)vinyl]-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H24N4OS2 MolecularWeight: 364.52866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NNC(=N1)C=CC2=CC=CS2

Isomeric SMILES

CCCCCC(C)NC(=O)CSC1=NNC(=N1)/C=C/C2=CC=CS2

InChI

InChI=1S/C17H24N4OS2/c1-3-4-5-7-13(2)18-16(22)12-24-17-19-15(20-21-17)10-9-14-8-6-11-23-14/h6,8-11,13H,3-5,7,12H2,1-2H3,(H,18,22)(H,19,20,21)/b10-9+