2-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole

Systemtic Name: 2-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole Openeye Name: 2-[2-(3-pyridyl)quinazolin-4-yl]sulfanyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole CAS Name: 2-[[2-(3-pyridinyl)-4-quinazolinyl]thio]-5-(1-pyrrolidin-1-iumylmethyl)-1,3,4-oxadiazole IUPAC Name: 2-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole Traditional Name: 2-[[2-(3-pyridyl)quinazolin-4-yl]thio]-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole Formula: C20H19N6OS+ MolecularWeight: 391.46946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NN=C(O2)SC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CC2=NN=C(O2)SC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C20H18N6OS/c1-2-8-16-15(7-1)19(23-18(22-16)14-6-5-9-21-12-14)28-20-25-24-17(27-20)13-26-10-3-4-11-26/h1-2,5-9,12H,3-4,10-11,13H2/p+1