1-[4-(2-nitrophenyl)piperazin-1-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(2-nitrophenyl)piperazin-1-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanone Openeye Name: 1-[4-(2-nitrophenyl)piperazin-1-yl]-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-[4-(2-nitrophenyl)-1-piperazinyl]-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]ethanone IUPAC Name: 1-[4-(2-nitrophenyl)piperazin-1-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanone Traditional Name: 1-[4-(2-nitrophenyl)piperazino]-2-[[2-(2-thienyl)quinazolin-4-yl]thio]ethanone Formula: C24H21N5O3S2 MolecularWeight: 491.58524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CSC3=NC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CSC3=NC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C24H21N5O3S2/c30-22(28-13-11-27(12-14-28)19-8-3-4-9-20(19)29(31)32)16-34-24-17-6-1-2-7-18(17)25-23(26-24)21-10-5-15-33-21/h1-10,15H,11-14,16H2