4-(3-chloranyl-2-methyl-phenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-(3-chloranyl-2-methyl-phenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-(3-chloro-2-methyl-phenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-(3-chloro-2-methyl-phenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C24H22ClN5S MolecularWeight: 447.98298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=NN(C2=S)CN3CCC4=CC=CC=C4C3)C5=CC=NC=C5

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=NN(C2=S)CN3CCC4=CC=CC=C4C3)C5=CC=NC=C5

InChI

InChI=1S/C24H22ClN5S/c1-17-21(25)7-4-8-22(17)30-23(19-9-12-26-13-10-19)27-29(24(30)31)16-28-14-11-18-5-2-3-6-20(18)15-28/h2-10,12-13H,11,14-16H2,1H3