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

Systemtic Name: 1-(1-adamantyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(1-adamantyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(1-adamantyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(1-adamantyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(1-adamantyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C16H23N3OS MolecularWeight: 305.43832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC(C)C(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=NC(=NN1)SC(C)C(=O)C23CC4CC(C2)CC(C4)C3

InChI

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