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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazole Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H29N3O2S/c1-27(2,3)21-12-10-20(11-13-21)19-33-26-29-28-25(30(26)22-8-6-5-7-9-22)18-32-24-16-14-23(31-4)15-17-24/h5-17H,18-19H2,1-4H3