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

Systemtic Name: 3-(1-adamantyl)-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1-adamantyl)-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-adamantyl)-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1-adamantyl)-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1-adamantyl)-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C19H23N3OS MolecularWeight: 341.47042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NNC2=S)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NNC2=S)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C19H23N3OS/c1-23-16-5-3-2-4-15(16)22-17(20-21-18(22)24)19-9-12-6-13(10-19)8-14(7-12)11-19/h2-5,12-14H,6-11H2,1H3,(H,21,24)