1-[4-(4-nitrophenyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[4-(4-nitrophenyl)-1-piperazinyl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-[4-(4-nitrophenyl)piperazino]-2-(quinazolin-4-ylthio)ethanone Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O3S/c26-19(13-29-20-17-3-1-2-4-18(17)21-14-22-20)24-11-9-23(10-12-24)15-5-7-16(8-6-15)25(27)28/h1-8,14H,9-13H2