N-heptan-2-yl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-heptan-2-yl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-(1-methylhexyl)-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-heptan-2-yl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-heptan-2-yl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-(1-methylhexyl)-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C15H22N4OS2 MolecularWeight: 338.49138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CN1C(=NNC1=S)C2=CC=CS2

Isomeric SMILES

CCCCCC(C)NC(=O)CN1C(=NNC1=S)C2=CC=CS2

InChI

InChI=1S/C15H22N4OS2/c1-3-4-5-7-11(2)16-13(20)10-19-14(17-18-15(19)21)12-8-6-9-22-12/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,16,20)(H,18,21)