5-(furan-2-yl)-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 5-(furan-2-yl)-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-(2-furyl)-2-[[methyl-[2-(2-pyridyl)ethyl]amino]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-(2-furanyl)-2-[[methyl-[2-(2-pyridinyl)ethyl]amino]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-(furan-2-yl)-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-(2-furyl)-2-[[methyl-[2-(2-pyridyl)ethyl]amino]methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)CN2C(=S)N(C(=N2)C3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

CN(CCC1=CC=CC=N1)CN2C(=S)N(C(=N2)C3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5OS/c1-24(14-12-17-8-5-6-13-22-17)16-25-21(28)26(18-9-3-2-4-10-18)20(23-25)19-11-7-15-27-19/h2-11,13,15H,12,14,16H2,1H3