3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-[(4-tert-butylphenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[5-[(4-tert-butylbenzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]pyridine Formula: C20H24N4S MolecularWeight: 352.49636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)C3=CN=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)C3=CN=CC=C3

InChI

InChI=1S/C20H24N4S/c1-5-24-18(16-7-6-12-21-13-16)22-23-19(24)25-14-15-8-10-17(11-9-15)20(2,3)4/h6-13H,5,14H2,1-4H3