2-[[(6-chloranylpyridin-3-yl)methyl-methyl-amino]methyl]-4,5-diphenyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(6-chloranylpyridin-3-yl)methyl-methyl-amino]methyl]-4,5-diphenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(6-chloro-3-pyridyl)methyl-methyl-amino]methyl]-4,5-diphenyl-1,2,4-triazole-3-thione CAS Name: 2-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]-4,5-diphenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(6-chloropyridin-3-yl)methyl-methylamino]methyl]-4,5-diphenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(6-chloro-3-pyridyl)methyl-methyl-amino]methyl]-4,5-diphenyl-1,2,4-triazole-3-thione Formula: C22H20ClN5S MolecularWeight: 421.9457

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C(C=C1)Cl)CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(CC1=CN=C(C=C1)Cl)CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H20ClN5S/c1-26(15-17-12-13-20(23)24-14-17)16-27-22(29)28(19-10-6-3-7-11-19)21(25-27)18-8-4-2-5-9-18/h2-14H,15-16H2,1H3