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

Systemtic Name: 5-(1-adamantyl)-3-(4-methylphenyl)-1H-1,2,4-triazole Openeye Name: 5-(1-adamantyl)-3-(p-tolyl)-1H-1,2,4-triazole CAS Name: 5-(1-adamantyl)-3-(4-methylphenyl)-1H-1,2,4-triazole IUPAC Name: 5-(1-adamantyl)-3-(4-methylphenyl)-1H-1,2,4-triazole Traditional Name: 5-(1-adamantyl)-3-(p-tolyl)-1H-1,2,4-triazole Formula: C19H23N3 MolecularWeight: 293.40602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=N2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=N2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C19H23N3/c1-12-2-4-16(5-3-12)17-20-18(22-21-17)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-11H2,1H3,(H,20,21,22)