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

Systemtic Name: 2-[[(2-ethyl-1-benzofuran-3-yl)methyl-methyl-amino]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2-ethylbenzofuran-3-yl)methyl-methyl-amino]methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(2-ethyl-3-benzofuranyl)methyl-methylamino]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(2-ethylbenzofuran-3-yl)methyl-methyl-amino]methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)CN(C)CN3C(=S)N(C(=N3)C4=CC=NC=C4)C

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)CN(C)CN3C(=S)N(C(=N3)C4=CC=NC=C4)C

InChI

InChI=1S/C21H23N5OS/c1-4-18-17(16-7-5-6-8-19(16)27-18)13-24(2)14-26-21(28)25(3)20(23-26)15-9-11-22-12-10-15/h5-12H,4,13-14H2,1-3H3