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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N3OS/c1-21(2,3)17-10-6-15(7-11-17)14-26-20-23-22-19(24(20)4)16-8-12-18(25-5)13-9-16/h6-13H,14H2,1-5H3