3,5-bis[4-(2,5-dimethylphenyl)-2,5-dimethyl-phenyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3,5-bis[4-(2,5-dimethylphenyl)-2,5-dimethyl-phenyl]-4-phenyl-1,2,4-triazole Openeye Name: 3,5-bis[4-(2,5-dimethylphenyl)-2,5-dimethyl-phenyl]-4-phenyl-1,2,4-triazole CAS Name: 3,5-bis[4-(2,5-dimethylphenyl)-2,5-dimethylphenyl]-4-phenyl-1,2,4-triazole IUPAC Name: 3,5-bis[4-(2,5-dimethylphenyl)-2,5-dimethylphenyl]-4-phenyl-1,2,4-triazole Traditional Name: 3,5-bis[4-(2,5-dimethylphenyl)-2,5-dimethyl-phenyl]-4-phenyl-1,2,4-triazole Formula: C40H39N3 MolecularWeight: 561.75776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CC(=C(C=C2C)C3=NN=C(N3C4=CC=CC=C4)C5=C(C=C(C(=C5)C)C6=C(C=CC(=C6)C)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CC(=C(C=C2C)C3=NN=C(N3C4=CC=CC=C4)C5=C(C=C(C(=C5)C)C6=C(C=CC(=C6)C)C)C)C

InChI

InChI=1S/C40H39N3/c1-24-14-16-26(3)33(18-24)35-20-30(7)37(22-28(35)5)39-41-42-40(43(39)32-12-10-9-11-13-32)38-23-29(6)36(21-31(38)8)34-19-25(2)15-17-27(34)4/h9-23H,1-8H3