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

Systemtic Name: 4-cyclopropyl-2-[[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[(3-fluoro-4-methoxy-benzyl)-methyl-amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C20H22FN5OS MolecularWeight: 399.484983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN5OS/c1-24(12-14-5-8-18(27-2)17(21)10-14)13-25-20(28)26(16-6-7-16)19(23-25)15-4-3-9-22-11-15/h3-5,8-11,16H,6-7,12-13H2,1-2H3