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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-4-ethyl-5-(4-methoxyphenyl)-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)C3=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3OS/c1-6-25-20(17-9-13-19(26-5)14-10-17)23-24-21(25)27-15-16-7-11-18(12-8-16)22(2,3)4/h7-14H,6,15H2,1-5H3