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1-[3-nitro-4-(3-phenylsulfanylpropylamino)phenyl]ethanone

1-[3-nitro-4-(3-phenylsulfanylpropylamino)phenyl]ethanone

Systemtic Name:1-[3-nitro-4-(3-phenylsulfanylpropylamino)phenyl]ethanone
Openeye Name:1-[3-nitro-4-(3-phenylsulfanylpropylamino)phenyl]ethanone
CAS Name:1-[3-nitro-4-[3-(phenylthio)propylamino]phenyl]ethanone
IUPAC Name:1-[3-nitro-4-(3-phenylsulfanylpropylamino)phenyl]ethanone
Traditional Name:1-[3-nitro-4-[3-(phenylthio)propylamino]phenyl]ethanone
Formula: C17H18N2O3S
MolecularWeight: 330.40142
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCCCSC2=CC=CC=C2)[N+](=O)[O-]


Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NCCCSC2=CC=CC=C2)[N+](=O)[O-]


InChI

InChI=1S/C17H18N2O3S/c1-13(20)14-8-9-16(17(12-14)19(21)22)18-10-5-11-23-15-6-3-2-4-7-15/h2-4,6-9,12,18H,5,10-11H2,1H3


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