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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(2-isopropylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-(4-methoxyphenyl)-4-o-cumenyl-1,2,4-triazole Formula: C29H33N3OS MolecularWeight: 471.65682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C29H33N3OS/c1-20(2)25-9-7-8-10-26(25)32-27(22-13-17-24(33-6)18-14-22)30-31-28(32)34-19-21-11-15-23(16-12-21)29(3,4)5/h7-18,20H,19H2,1-6H3