1-(1-adamantyl)-2-(1-methylimidazol-2-yl)sulfanyl-propan-1-one

Systemtic Name: 1-(1-adamantyl)-2-(1-methylimidazol-2-yl)sulfanyl-propan-1-one Openeye Name: 1-(1-adamantyl)-2-(1-methylimidazol-2-yl)sulfanyl-propan-1-one CAS Name: 1-(1-adamantyl)-2-[(1-methyl-2-imidazolyl)thio]-1-propanone IUPAC Name: 1-(1-adamantyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-one Traditional Name: 1-(1-adamantyl)-2-[(1-methylimidazol-2-yl)thio]propan-1-one Formula: C17H24N2OS MolecularWeight: 304.45026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2OS/c1-11(21-16-18-3-4-19(16)2)15(20)17-8-12-5-13(9-17)7-14(6-12)10-17/h3-4,11-14H,5-10H2,1-2H3