1-(1-adamantyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(1-adamantyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(1-adamantyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(1-adamantyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(1-adamantyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(1-adamantyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C22H33N3OS MolecularWeight: 387.58192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SC(C)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SC(C)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H33N3OS/c1-14(20(26)22-11-16-8-17(12-22)10-18(9-16)13-22)27-21-24-23-15(2)25(21)19-6-4-3-5-7-19/h14,16-19H,3-13H2,1-2H3