2-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]methyl]-4-ethyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(2-chloro-6-fluoro-benzyl)-methyl-amino]methyl]-4-ethyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C18H19ClFN5S MolecularWeight: 391.893363

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN(C)CC2=C(C=CC=C2Cl)F)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN(C1=S)CN(C)CC2=C(C=CC=C2Cl)F)C3=CC=NC=C3

InChI

InChI=1S/C18H19ClFN5S/c1-3-24-17(13-7-9-21-10-8-13)22-25(18(24)26)12-23(2)11-14-15(19)5-4-6-16(14)20/h4-10H,3,11-12H2,1-2H3