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

Systemtic Name: 3-(1-adamantyl)-4-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1-adamantyl)-4-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-adamantyl)-4-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1-adamantyl)-4-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1-adamantyl)-4-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione Formula: C18H20ClN3S MolecularWeight: 345.8895

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3S/c19-14-2-1-3-15(7-14)22-16(20-21-17(22)23)18-8-11-4-12(9-18)6-13(5-11)10-18/h1-3,7,11-13H,4-6,8-10H2,(H,21,23)