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

Systemtic Name: 1-(1-adamantyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H21N3OS2 MolecularWeight: 359.50884

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NNC(=N4)C5=CC=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NNC(=N4)C5=CC=CS5

InChI

InChI=1S/C18H21N3OS2/c22-15(18-7-11-4-12(8-18)6-13(5-11)9-18)10-24-17-19-16(20-21-17)14-2-1-3-23-14/h1-3,11-13H,4-10H2,(H,19,20,21)