3-[3-[2-(1-adamantyl)ethylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCSC4=NN=C(N4CCC(=O)N)C5=CC=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCSC4=NN=C(N4CCC(=O)N)C5=CC=CS5

InChI

InChI=1S/C21H28N4OS2/c22-18(26)3-5-25-19(17-2-1-6-27-17)23-24-20(25)28-7-4-21-11-14-8-15(12-21)10-16(9-14)13-21/h1-2,6,14-16H,3-5,7-13H2,(H2,22,26)