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

Systemtic Name: 2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[ethyl(4-pyridylmethyl)amino]methyl]-4-phenyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[ethyl(4-pyridylmethyl)amino]methyl]-4-phenyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C22H22N6S MolecularWeight: 402.51528

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN(CC1=CC=NC=C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N6S/c1-2-26(16-18-8-12-23-13-9-18)17-27-22(29)28(20-6-4-3-5-7-20)21(25-27)19-10-14-24-15-11-19/h3-15H,2,16-17H2,1H3