3-(1-adamantyl)-5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-1,2,4-triazole

Systemtic Name: 3-(1-adamantyl)-5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-1,2,4-triazole Openeye Name: 3-(1-adamantyl)-5-(m-tolyl)-1-(p-tolylmethyl)-1,2,4-triazole CAS Name: 3-(1-adamantyl)-5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-1,2,4-triazole IUPAC Name: 3-(1-adamantyl)-5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-1,2,4-triazole Traditional Name: 3-(1-adamantyl)-1-(4-methylbenzyl)-5-(m-tolyl)-1,2,4-triazole Formula: C27H31N3 MolecularWeight: 397.55514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=NC(=N2)C34CC5CC(C3)CC(C5)C4)C6=CC(=CC=C6)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=NC(=N2)C34CC5CC(C3)CC(C5)C4)C6=CC(=CC=C6)C

InChI

InChI=1S/C27H31N3/c1-18-6-8-20(9-7-18)17-30-25(24-5-3-4-19(2)10-24)28-26(29-30)27-14-21-11-22(15-27)13-23(12-21)16-27/h3-10,21-23H,11-17H2,1-2H3