1-(1-adamantyl)-2-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C22H27N3OS2 MolecularWeight: 413.59928

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NN=C(S4)NCCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NN=C(S4)NCCC5=CC=CC=C5

InChI

InChI=1S/C22H27N3OS2/c26-19(22-11-16-8-17(12-22)10-18(9-16)13-22)14-27-21-25-24-20(28-21)23-7-6-15-4-2-1-3-5-15/h1-5,16-18H,6-14H2,(H,23,24)