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

Systemtic Name: 1-(1-adamantyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C19H23N3OS2 MolecularWeight: 373.53542

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NNC(=N4)CC5=CC=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NNC(=N4)CC5=CC=CS5

InChI

InChI=1S/C19H23N3OS2/c23-16(19-8-12-4-13(9-19)6-14(5-12)10-19)11-25-18-20-17(21-22-18)7-15-2-1-3-24-15/h1-3,12-14H,4-11H2,(H,20,21,22)