3-(1-adamantyl)-5-(3-methylphenyl)-1-[(E)-3-phenylprop-2-enyl]-1,2,4-triazole

Systemtic Name: 3-(1-adamantyl)-5-(3-methylphenyl)-1-[(E)-3-phenylprop-2-enyl]-1,2,4-triazole Openeye Name: 3-(1-adamantyl)-1-[(E)-cinnamyl]-5-(m-tolyl)-1,2,4-triazole CAS Name: 3-(1-adamantyl)-5-(3-methylphenyl)-1-[(E)-3-phenylprop-2-enyl]-1,2,4-triazole IUPAC Name: 3-(1-adamantyl)-5-(3-methylphenyl)-1-[(E)-3-phenylprop-2-enyl]-1,2,4-triazole Traditional Name: 3-(1-adamantyl)-1-[(E)-cinnamyl]-5-(m-tolyl)-1,2,4-triazole Formula: C28H31N3 MolecularWeight: 409.56584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=NN2CC=CC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=NN2C/C=C/C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H31N3/c1-20-7-5-11-25(13-20)26-29-27(28-17-22-14-23(18-28)16-24(15-22)19-28)30-31(26)12-6-10-21-8-3-2-4-9-21/h2-11,13,22-24H,12,14-19H2,1H3/b10-6+