4-[1-(1-adamantyl)ethyl]-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[1-(1-adamantyl)ethyl]-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[1-(1-adamantyl)ethyl]-3-(2-quinolyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[1-(1-adamantyl)ethyl]-3-(2-quinolinyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[1-(1-adamantyl)ethyl]-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[1-(1-adamantyl)ethyl]-3-(2-quinolyl)-1H-1,2,4-triazole-5-thione Formula: C23H26N4S MolecularWeight: 390.54434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)N4C(=NNC4=S)C5=NC6=CC=CC=C6C=C5

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)N4C(=NNC4=S)C5=NC6=CC=CC=C6C=C5

InChI

InChI=1S/C23H26N4S/c1-14(23-11-15-8-16(12-23)10-17(9-15)13-23)27-21(25-26-22(27)28)20-7-6-18-4-2-3-5-19(18)24-20/h2-7,14-17H,8-13H2,1H3,(H,26,28)