N'-[2-(1-adamantyl)ethanoyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanehydrazide

Systemtic Name: N'-[2-(1-adamantyl)ethanoyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanehydrazide Openeye Name: N'-[2-(1-adamantyl)acetyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanehydrazide CAS Name: N'-[2-(1-adamantyl)-1-oxoethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanehydrazide IUPAC Name: N'-[2-(1-adamantyl)acetyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanehydrazide Traditional Name: N'-[2-(1-adamantyl)acetyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionohydrazide Formula: C21H27N5O2S2 MolecularWeight: 445.60138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NNC(=O)CCN4C(=NNC4=S)C5=CC=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NNC(=O)CCN4C(=NNC4=S)C5=CC=CS5

InChI

InChI=1S/C21H27N5O2S2/c27-17(3-4-26-19(24-25-20(26)29)16-2-1-5-30-16)22-23-18(28)12-21-9-13-6-14(10-21)8-15(7-13)11-21/h1-2,5,13-15H,3-4,6-12H2,(H,22,27)(H,23,28)(H,25,29)