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

Systemtic Name: 3-(4-methylphenyl)-5-phenethyl-1H-1,2,4-triazole Openeye Name: 5-phenethyl-3-(p-tolyl)-1H-1,2,4-triazole CAS Name: 3-(4-methylphenyl)-5-phenethyl-1H-1,2,4-triazole IUPAC Name: 3-(4-methylphenyl)-5-phenethyl-1H-1,2,4-triazole Traditional Name: 5-phenethyl-3-(p-tolyl)-1H-1,2,4-triazole Formula: C17H17N3 MolecularWeight: 263.33698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=N2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=N2)CCC3=CC=CC=C3

InChI

InChI=1S/C17H17N3/c1-13-7-10-15(11-8-13)17-18-16(19-20-17)12-9-14-5-3-2-4-6-14/h2-8,10-11H,9,12H2,1H3,(H,18,19,20)