3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazole Openeye Name: 4-(4-benzyloxyphenyl)-3-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-(4-phenylmethoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazole Traditional Name: 4-(4-benzoxyphenyl)-3-[(4-tert-butylbenzyl)thio]-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=CN2C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=CN2C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3OS/c1-26(2,3)22-11-9-21(10-12-22)18-31-25-28-27-19-29(25)23-13-15-24(16-14-23)30-17-20-7-5-4-6-8-20/h4-16,19H,17-18H2,1-3H3