1-(1-adamantyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-(1-adamantyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-(1-adamantyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-(1-adamantyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-(1-adamantyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-(1-adamantyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C14H19N3OS MolecularWeight: 277.38516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC=NN4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC=NN4

InChI

InChI=1S/C14H19N3OS/c18-12(7-19-13-15-8-16-17-13)14-4-9-1-10(5-14)3-11(2-9)6-14/h8-11H,1-7H2,(H,15,16,17)