3-phenyl-5-[[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-phenyl-5-[[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-phenyl-5-[[4-[2-(3-thienyl)quinazolin-4-yl]piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-phenyl-5-[[4-[2-(3-thiophenyl)-4-quinazolinyl]-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-phenyl-5-[[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-phenyl-5-[[4-[2-(3-thienyl)quinazolin-4-yl]piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C25H23N6OS+ MolecularWeight: 455.55472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)C4=NC(=NC5=CC=CC=C54)C6=CSC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)C4=NC(=NC5=CC=CC=C54)C6=CSC=C6

InChI

InChI=1S/C25H22N6OS/c1-2-6-18(7-3-1)24-27-22(32-29-24)16-30-11-13-31(14-12-30)25-20-8-4-5-9-21(20)26-23(28-25)19-10-15-33-17-19/h1-10,15,17H,11-14,16H2/p+1