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

Systemtic Name: 3-(1-adamantyl)-4-(3-chloranyl-4-fluoranyl-phenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1-adamantyl)-4-(3-chloro-4-fluoro-phenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-adamantyl)-4-(3-chloro-4-fluorophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1-adamantyl)-4-(3-chloro-4-fluorophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1-adamantyl)-4-(3-chloro-4-fluoro-phenyl)-1H-1,2,4-triazole-5-thione Formula: C18H19ClFN3S MolecularWeight: 363.879963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClFN3S/c19-14-6-13(1-2-15(14)20)23-16(21-22-17(23)24)18-7-10-3-11(8-18)5-12(4-10)9-18/h1-2,6,10-12H,3-5,7-9H2,(H,22,24)