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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-methylphenoxy)methyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-methylphenoxy)methyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-[(4-methylphenoxy)methyl]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-methylphenoxy)methyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-[(4-methylphenoxy)methyl]-4-phenyl-1,2,4-triazole Formula: C27H29N3OS MolecularWeight: 443.60366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H29N3OS/c1-20-10-16-24(17-11-20)31-18-25-28-29-26(30(25)23-8-6-5-7-9-23)32-19-21-12-14-22(15-13-21)27(2,3)4/h5-17H,18-19H2,1-4H3