3-(1-adamantylmethyl)-4-[2-(3,4-diethoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(1-adamantylmethyl)-4-[2-(3,4-diethoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1-adamantylmethyl)-4-[2-(3,4-diethoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-adamantylmethyl)-4-[2-(3,4-diethoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1-adamantylmethyl)-4-[2-(3,4-diethoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1-adamantylmethyl)-4-[2-(3,4-diethoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione Formula: C25H35N3O2S MolecularWeight: 441.6293

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCN2C(=NNC2=S)CC34CC5CC(C3)CC(C5)C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCN2C(=NNC2=S)CC34CC5CC(C3)CC(C5)C4)OCC

InChI

InChI=1S/C25H35N3O2S/c1-3-29-21-6-5-17(12-22(21)30-4-2)7-8-28-23(26-27-24(28)31)16-25-13-18-9-19(14-25)11-20(10-18)15-25/h5-6,12,18-20H,3-4,7-11,13-16H2,1-2H3,(H,27,31)