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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=NNC2=S)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC1=CC=CC=C1N2C(=NNC2=S)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H25N3S/c1-2-16-5-3-4-6-17(16)23-18(21-22-19(23)24)20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15H,2,7-12H2,1H3,(H,22,24)