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

Systemtic Name: 3-[(pyridin-1-ium-2-ylamino)methyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione Openeye Name: 3-[(pyridin-1-ium-2-ylamino)methyl]-5-(4-pyridyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-[(2-pyridin-1-iumylamino)methyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[(pyridin-1-ium-2-ylamino)methyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione Traditional Name: 3-[(pyridin-1-ium-2-ylamino)methyl]-5-(4-pyridyl)-1,3,4-oxadiazole-2-thione Formula: C13H12N5OS+ MolecularWeight: 286.33228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)NCN2C(=S)OC(=N2)C3=CC=NC=C3

Isomeric SMILES

C1=CC=[NH+]C(=C1)NCN2C(=S)OC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C13H11N5OS/c20-13-18(9-16-11-3-1-2-6-15-11)17-12(19-13)10-4-7-14-8-5-10/h1-8H,9H2,(H,15,16)/p+1