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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole Formula: C26H27N3OS MolecularWeight: 429.57708

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3OS/c1-26(2,3)21-12-10-19(11-13-21)18-31-25-28-27-24(20-8-6-5-7-9-20)29(25)22-14-16-23(30-4)17-15-22/h5-17H,18H2,1-4H3