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

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

Isomeric SMILES

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

InChI

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