3-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-5-(phenoxymethyl)-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-5-(phenoxymethyl)-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-5-(phenoxymethyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-ethyl-5-(phenoxymethyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-5-(phenoxymethyl)-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-4-ethyl-5-(phenoxymethyl)-1,2,4-triazole Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)COC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)COC3=CC=CC=C3

InChI

InChI=1S/C22H27N3OS/c1-5-25-20(15-26-19-9-7-6-8-10-19)23-24-21(25)27-16-17-11-13-18(14-12-17)22(2,3)4/h6-14H,5,15-16H2,1-4H3