5-(4-tert-butylphenyl)-4-(4-ethylphenyl)-3-(4-phenylphenyl)-1H-1,2,4-triazol-4-ium

Systemtic Name: 5-(4-tert-butylphenyl)-4-(4-ethylphenyl)-3-(4-phenylphenyl)-1H-1,2,4-triazol-4-ium Openeye Name: 5-(4-tert-butylphenyl)-4-(4-ethylphenyl)-3-(4-phenylphenyl)-1H-1,2,4-triazol-4-ium CAS Name: 5-(4-tert-butylphenyl)-4-(4-ethylphenyl)-3-(4-phenylphenyl)-1H-1,2,4-triazol-4-ium IUPAC Name: 5-(4-tert-butylphenyl)-4-(4-ethylphenyl)-3-(4-phenylphenyl)-1H-1,2,4-triazol-4-ium Traditional Name: 5-(4-tert-butylphenyl)-4-(4-ethylphenyl)-3-(4-phenylphenyl)-1H-1,2,4-triazol-4-ium Formula: C32H32N3+ MolecularWeight: 458.61658

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)[N+]2=C(NN=C2C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[N+]2=C(NN=C2C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C32H31N3/c1-5-23-11-21-29(22-12-23)35-30(26-15-13-25(14-16-26)24-9-7-6-8-10-24)33-34-31(35)27-17-19-28(20-18-27)32(2,3)4/h6-22H,5H2,1-4H3/p+1