1-(1-adamantyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C15H21N3OS MolecularWeight: 291.41174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=NC(=NN1)SCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C15H21N3OS/c1-9-16-14(18-17-9)20-8-13(19)15-5-10-2-11(6-15)4-12(3-10)7-15/h10-12H,2-8H2,1H3,(H,16,17,18)