2-[[(5-chloranyl-2-methoxy-phenyl)methyl-methyl-amino]methyl]-4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(5-chloranyl-2-methoxy-phenyl)methyl-methyl-amino]methyl]-4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[(5-chloro-2-methoxy-phenyl)methyl-methyl-amino]methyl]-4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(5-chloro-2-methoxy-benzyl)-methyl-amino]methyl]-4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C20H22ClN5OS MolecularWeight: 415.93958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)Cl)OC)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4CC4

Isomeric SMILES

CN(CC1=C(C=CC(=C1)Cl)OC)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4CC4

InChI

InChI=1S/C20H22ClN5OS/c1-24(12-15-11-16(21)3-6-18(15)27-2)13-25-20(28)26(17-4-5-17)19(23-25)14-7-9-22-10-8-14/h3,6-11,17H,4-5,12-13H2,1-2H3