3-(1-adamantylmethyl)-4-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(1-adamantylmethyl)-4-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1-adamantylmethyl)-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-adamantylmethyl)-4-[[(2R)-2-oxolanyl]methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1-adamantylmethyl)-4-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1-adamantylmethyl)-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-1,2,4-triazole-5-thione Formula: C18H27N3OS MolecularWeight: 333.49148

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NNC2=S)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1C[C@@H](OC1)CN2C(=NNC2=S)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C18H27N3OS/c23-17-20-19-16(21(17)11-15-2-1-3-22-15)10-18-7-12-4-13(8-18)6-14(5-12)9-18/h12-15H,1-11H2,(H,20,23)/t12?,13?,14?,15-,18?/m1/s1