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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-5-(phenoxymethyl)-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-5-(phenoxymethyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-methyl-5-(phenoxymethyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-5-(phenoxymethyl)-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-4-methyl-5-(phenoxymethyl)-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)COC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C)COC3=CC=CC=C3

InChI

InChI=1S/C21H25N3OS/c1-21(2,3)17-12-10-16(11-13-17)15-26-20-23-22-19(24(20)4)14-25-18-8-6-5-7-9-18/h5-13H,14-15H2,1-4H3