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

Systemtic Name: 1-(1-adamantyl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C23H29N3OS MolecularWeight: 395.56086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3)CC5=CC=CC=C5

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3)CC5=CC=CC=C5

InChI

InChI=1S/C23H29N3OS/c1-2-26-21(11-16-6-4-3-5-7-16)24-25-22(26)28-15-20(27)23-12-17-8-18(13-23)10-19(9-17)14-23/h3-7,17-19H,2,8-15H2,1H3