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

Systemtic Name: 3-(1-adamantyl)-4-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1-adamantyl)-4-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-adamantyl)-4-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1-adamantyl)-4-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1-adamantyl)-4-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazole-5-thione Formula: C19H22ClN3OS MolecularWeight: 375.91548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2C(=NNC2=S)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C(=NNC2=S)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C19H22ClN3OS/c1-24-16-3-2-14(20)7-15(16)23-17(21-22-18(23)25)19-8-11-4-12(9-19)6-13(5-11)10-19/h2-3,7,11-13H,4-6,8-10H2,1H3,(H,22,25)