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

Systemtic Name: (2R)-1-(1-adamantyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2R)-1-(1-adamantyl)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: (2R)-1-(1-adamantyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2R)-1-(1-adamantyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2R)-1-(1-adamantyl)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C18H27N3OS MolecularWeight: 333.49148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SC(C)C(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NNC(=N4)C(C)C

InChI

InChI=1S/C18H27N3OS/c1-10(2)16-19-17(21-20-16)23-11(3)15(22)18-7-12-4-13(8-18)6-14(5-12)9-18/h10-14H,4-9H2,1-3H3,(H,19,20,21)/t11-,12?,13?,14?,18?/m1/s1