3-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(2,6-dichlorophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[(2,6-dichlorobenzyl)thio]-4-phenyl-1,2,4-triazole Formula: C25H23Cl2N3S MolecularWeight: 468.44122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC=C4Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C25H23Cl2N3S/c1-25(2,3)18-14-12-17(13-15-18)23-28-29-24(30(23)19-8-5-4-6-9-19)31-16-20-21(26)10-7-11-22(20)27/h4-15H,16H2,1-3H3