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

Systemtic Name: 3-(1-adamantyl)-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1-adamantyl)-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-adamantyl)-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1-adamantyl)-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1-adamantyl)-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C18H21N3S MolecularWeight: 311.44444

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NNC(=S)N4C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NNC(=S)N4C5=CC=CC=C5

InChI

InChI=1S/C18H21N3S/c22-17-20-19-16(21(17)15-4-2-1-3-5-15)18-9-12-6-13(10-18)8-14(7-12)11-18/h1-5,12-14H,6-11H2,(H,20,22)