3-(4-tert-butylphenyl)-5-[2-(4-methoxyphenyl)ethylsulfanyl]-4-methyl-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-[2-(4-methoxyphenyl)ethylsulfanyl]-4-methyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-[2-(4-methoxyphenyl)ethylsulfanyl]-4-methyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[2-(4-methoxyphenyl)ethylthio]-4-methyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[2-(4-methoxyphenyl)ethylsulfanyl]-4-methyl-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[2-(4-methoxyphenyl)ethylthio]-4-methyl-1,2,4-triazole Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCCC3=CC=C(C=C3)OC

InChI

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