3-(1-adamantyl)-4-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(1-adamantyl)-4-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1-adamantyl)-4-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-adamantyl)-4-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1-adamantyl)-4-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1-adamantyl)-4-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazole-5-thione Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NNC(=S)N4C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NNC(=S)N4C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C19H21N3O2S/c25-18-21-20-17(19-7-11-3-12(8-19)5-13(4-11)9-19)22(18)14-1-2-15-16(6-14)24-10-23-15/h1-2,6,11-13H,3-5,7-10H2,(H,21,25)