1-[4-(4-nitrophenyl)piperazin-1-yl]-2-phenylsulfanyl-propan-1-one

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-phenylsulfanyl-propan-1-one Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-phenylsulfanyl-propan-1-one CAS Name: 1-[4-(4-nitrophenyl)-1-piperazinyl]-2-(phenylthio)-1-propanone IUPAC Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one Traditional Name: 1-[4-(4-nitrophenyl)piperazino]-2-(phenylthio)propan-1-one Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O3S/c1-15(26-18-5-3-2-4-6-18)19(23)21-13-11-20(12-14-21)16-7-9-17(10-8-16)22(24)25/h2-10,15H,11-14H2,1H3