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

Systemtic Name: 3-(1-adamantyl)-4-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1-adamantyl)-4-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-adamantyl)-4-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1-adamantyl)-4-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1-adamantyl)-4-p-phenetyl-1H-1,2,4-triazole-5-thione Formula: C20H25N3OS MolecularWeight: 355.497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NNC2=S)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NNC2=S)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H25N3OS/c1-2-24-17-5-3-16(4-6-17)23-18(21-22-19(23)25)20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15H,2,7-12H2,1H3,(H,22,25)