5-(1,3-benzodioxol-5-yl)-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-[[2-(3-pyridyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(1,3-benzodioxol-5-yl)-3-[[2-(3-pyridinyl)-1-pyrrolidinyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-[[2-(3-pyridyl)pyrrolidino]methyl]-1,3,4-oxadiazole-2-thione Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CN2C(=S)OC(=N2)C3=CC4=C(C=C3)OCO4)C5=CN=CC=C5

Isomeric SMILES

C1CC(N(C1)CN2C(=S)OC(=N2)C3=CC4=C(C=C3)OCO4)C5=CN=CC=C5

InChI

InChI=1S/C19H18N4O3S/c27-19-23(11-22-8-2-4-15(22)14-3-1-7-20-10-14)21-18(26-19)13-5-6-16-17(9-13)25-12-24-16/h1,3,5-7,9-10,15H,2,4,8,11-12H2