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

Systemtic Name: (2R)-1-(1-adamantyl)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2R)-1-(1-adamantyl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: (2R)-1-(1-adamantyl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2R)-1-(1-adamantyl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2R)-1-(1-adamantyl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C15H22N4OS MolecularWeight: 306.42638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NNC(=N4)N

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4OS/c1-8(21-14-17-13(16)18-19-14)12(20)15-5-9-2-10(6-15)4-11(3-9)7-15/h8-11H,2-7H2,1H3,(H3,16,17,18,19)/t8-,9?,10?,11?,15?/m1/s1