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

Systemtic Name: 1-(1-adamantyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(1-adamantyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(1-adamantyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(1-adamantyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(1-adamantyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C16H23N3OS MolecularWeight: 305.43832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=CN4C

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=CN4C

InChI

InChI=1S/C16H23N3OS/c1-10(21-15-18-17-9-19(15)2)14(20)16-6-11-3-12(7-16)5-13(4-11)8-16/h9-13H,3-8H2,1-2H3