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

Systemtic Name: 1-(1-adamantyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C24H25N3OS2 MolecularWeight: 435.6048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC=CS6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC=CS6

InChI

InChI=1S/C24H25N3OS2/c28-21(24-12-16-9-17(13-24)11-18(10-16)14-24)15-30-23-26-25-22(20-7-4-8-29-20)27(23)19-5-2-1-3-6-19/h1-8,16-18H,9-15H2