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

Systemtic Name: 3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(o-tolyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-[(4-tert-butylphenyl)methylthio]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[5-[(4-tert-butylbenzyl)thio]-4-(o-tolyl)-1,2,4-triazol-3-yl]pyridine Formula: C25H26N4S MolecularWeight: 414.56574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC=C(C=C3)C(C)(C)C)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC=C(C=C3)C(C)(C)C)C4=CN=CC=C4

InChI

InChI=1S/C25H26N4S/c1-18-8-5-6-10-22(18)29-23(20-9-7-15-26-16-20)27-28-24(29)30-17-19-11-13-21(14-12-19)25(2,3)4/h5-16H,17H2,1-4H3