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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(3-chloranyl-4-methoxy-phenyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(3-chloro-4-methoxy-phenyl)-5-phenyl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-(3-chloro-4-methoxyphenyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(3-chloro-4-methoxyphenyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-4-(3-chloro-4-methoxy-phenyl)-5-phenyl-1,2,4-triazole Formula: C26H26ClN3OS MolecularWeight: 464.02214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC(=C(C=C3)OC)Cl)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC(=C(C=C3)OC)Cl)C4=CC=CC=C4

InChI

InChI=1S/C26H26ClN3OS/c1-26(2,3)20-12-10-18(11-13-20)17-32-25-29-28-24(19-8-6-5-7-9-19)30(25)21-14-15-23(31-4)22(27)16-21/h5-16H,17H2,1-4H3