4-(3-tert-butylphenyl)-4-phenyl-3-(4-phenylphenyl)-1,2,4-triazol-4-ium

Systemtic Name: 4-(3-tert-butylphenyl)-4-phenyl-3-(4-phenylphenyl)-1,2,4-triazol-4-ium Openeye Name: 4-(3-tert-butylphenyl)-4-phenyl-3-(4-phenylphenyl)-1,2,4-triazol-4-ium CAS Name: 4-(3-tert-butylphenyl)-4-phenyl-3-(4-phenylphenyl)-1,2,4-triazol-4-ium IUPAC Name: 4-(3-tert-butylphenyl)-4-phenyl-3-(4-phenylphenyl)-1,2,4-triazol-4-ium Traditional Name: 4-(3-tert-butylphenyl)-4-phenyl-3-(4-phenylphenyl)-1,2,4-triazol-4-ium Formula: C30H28N3+ MolecularWeight: 430.56342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H28N3/c1-30(2,3)26-13-10-16-28(21-26)33(27-14-8-5-9-15-27)22-31-32-29(33)25-19-17-24(18-20-25)23-11-6-4-7-12-23/h4-22H,1-3H3/q+1