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

Systemtic Name: (2R)-1-(1-adamantyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one Openeye Name: (2R)-1-(1-adamantyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one CAS Name: (2R)-1-(1-adamantyl)-2-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]-1-propanone IUPAC Name: (2R)-1-(1-adamantyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one Traditional Name: (2R)-1-(1-adamantyl)-2-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]propan-1-one Formula: C16H22N2OS3 MolecularWeight: 354.55368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=C(S4)SC

Isomeric SMILES

C[C@H](C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=C(S4)SC

InChI

InChI=1S/C16H22N2OS3/c1-9(21-15-18-17-14(20-2)22-15)13(19)16-6-10-3-11(7-16)5-12(4-10)8-16/h9-12H,3-8H2,1-2H3/t9-,10?,11?,12?,16?/m1/s1