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

Systemtic Name: 3-(1-adamantyl)-4-(4-ethylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1-adamantyl)-4-(4-ethylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-adamantyl)-4-(4-ethylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1-adamantyl)-4-(4-ethylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1-adamantyl)-4-(4-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=C(C=C1)N2C(=NNC2=S)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NNC2=S)C34CC5CC(C3)CC(C5)C4

InChI

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