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

Systemtic Name: 4-cyclopropyl-2-[[(2-ethyl-1-benzofuran-3-yl)methyl-methyl-amino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[(2-ethylbenzofuran-3-yl)methyl-methyl-amino]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[(2-ethyl-3-benzofuranyl)methyl-methylamino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[(2-ethylbenzofuran-3-yl)methyl-methyl-amino]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C23H25N5OS MolecularWeight: 419.5425

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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)C5CC5

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)CN(C)CN3C(=S)N(C(=N3)C4=CC=NC=C4)C5CC5

InChI

InChI=1S/C23H25N5OS/c1-3-20-19(18-6-4-5-7-21(18)29-20)14-26(2)15-27-23(30)28(17-8-9-17)22(25-27)16-10-12-24-13-11-16/h4-7,10-13,17H,3,8-9,14-15H2,1-2H3