N-[1-(1-adamantyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[1-(1-adamantyl)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[1-(1-adamantyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[1-(1-adamantyl)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C21H28N4OS2 MolecularWeight: 416.60322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCN4C(=NNC4=S)C5=CC=CS5

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCN4C(=NNC4=S)C5=CC=CS5

InChI

InChI=1S/C21H28N4OS2/c1-13(21-10-14-7-15(11-21)9-16(8-14)12-21)22-18(26)4-5-25-19(23-24-20(25)27)17-3-2-6-28-17/h2-3,6,13-16H,4-5,7-12H2,1H3,(H,22,26)(H,24,27)