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

Systemtic Name: (2R)-1-(1-adamantyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2R)-1-(1-adamantyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: (2R)-1-(1-adamantyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2R)-1-(1-adamantyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2R)-1-(1-adamantyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C19H27N3OS MolecularWeight: 345.50218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4C)C5CC5

Isomeric SMILES

C[C@H](C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4C)C5CC5

InChI

InChI=1S/C19H27N3OS/c1-11(24-18-21-20-17(22(18)2)15-3-4-15)16(23)19-8-12-5-13(9-19)7-14(6-12)10-19/h11-15H,3-10H2,1-2H3/t11-,12?,13?,14?,19?/m1/s1