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

Systemtic Name: 3-(1-adamantyl)-4-phenethyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1-adamantyl)-4-phenethyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-adamantyl)-4-phenethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1-adamantyl)-4-phenethyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1-adamantyl)-4-phenethyl-1H-1,2,4-triazole-5-thione Formula: C20H25N3S MolecularWeight: 339.4976

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NNC(=S)N4CCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NNC(=S)N4CCC5=CC=CC=C5

InChI

InChI=1S/C20H25N3S/c24-19-22-21-18(23(19)7-6-14-4-2-1-3-5-14)20-11-15-8-16(12-20)10-17(9-15)13-20/h1-5,15-17H,6-13H2,(H,22,24)