5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole-4-carbothioic S-acid

Systemtic Name: 5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole-4-carbothioic S-acid Openeye Name: 5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole-4-carbothioic S-acid CAS Name: 5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole-4-carbothioic S-acid IUPAC Name: 5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole-4-carbothioic S-acid Traditional Name: 5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole-4-carbothioic S-acid Formula: C21H30N2O2S MolecularWeight: 374.5401

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=C(N2)COC34CC5CC(C3)CC(C5)C4)C(=O)S

Isomeric SMILES

C1CCC(CC1)C2=NC(=C(N2)COC34CC5CC(C3)CC(C5)C4)C(=O)S

InChI

InChI=1S/C21H30N2O2S/c24-20(26)18-17(22-19(23-18)16-4-2-1-3-5-16)12-25-21-9-13-6-14(10-21)8-15(7-13)11-21/h13-16H,1-12H2,(H,22,23)(H,24,26)