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

Systemtic Name: 1-(1-adamantyl)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H27N3OS2 MolecularWeight: 413.59928

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC=CS6

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC=CS6

InChI

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