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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC(=CC=C3)OC

InChI

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