3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-5-(4-ethylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-5-(4-ethylphenyl)-1H-1,2,4-triazole Formula: C23H29N3S MolecularWeight: 379.56146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=C(C=C3C)C(C)(C)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=C(C=C3C)C(C)(C)C)C

InChI

InChI=1S/C23H29N3S/c1-7-17-8-10-18(11-9-17)21-24-22(26-25-21)27-14-20-15(2)12-19(13-16(20)3)23(4,5)6/h8-13H,7,14H2,1-6H3,(H,24,25,26)