1-(1-adamantyl)-2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(1-adamantyl)-2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-one Openeye Name: 1-(1-adamantyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-propan-1-one CAS Name: 1-(1-adamantyl)-2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-propanone IUPAC Name: 1-(1-adamantyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropan-1-one Traditional Name: 1-(1-adamantyl)-2-[(1-cyclohexyltetrazol-5-yl)thio]propan-1-one Formula: C20H30N4OS MolecularWeight: 374.5434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=NN4C5CCCCC5

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=NN4C5CCCCC5

InChI

InChI=1S/C20H30N4OS/c1-13(26-19-21-22-23-24(19)17-5-3-2-4-6-17)18(25)20-10-14-7-15(11-20)9-16(8-14)12-20/h13-17H,2-12H2,1H3