2-(5-phenyl-2-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole

Systemtic Name: 2-(5-phenyl-2-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole Openeye Name: 2-[5-phenyl-2-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole CAS Name: 2-[(5-phenyl-2-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl)thio]-5-(1-pyrrolidin-1-iumylmethyl)-1,3,4-oxadiazole IUPAC Name: 2-(5-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole Traditional Name: 2-[[5-phenyl-2-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]thio]-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole Formula: C23H20N5OS3+ MolecularWeight: 478.6328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NN=C(O2)SC3=NC(=NC4=C3C(=CS4)C5=CC=CC=C5)C6=CC=CS6

Isomeric SMILES

C1CC[NH+](C1)CC2=NN=C(O2)SC3=NC(=NC4=C3C(=CS4)C5=CC=CC=C5)C6=CC=CS6

InChI

InChI=1S/C23H19N5OS3/c1-2-7-15(8-3-1)16-14-31-21-19(16)22(25-20(24-21)17-9-6-12-30-17)32-23-27-26-18(29-23)13-28-10-4-5-11-28/h1-3,6-9,12,14H,4-5,10-11,13H2/p+1