[4-fluoranyl-2-nitro-5-(3-oxidanylpropylsulfanyl)phenyl]-piperazin-1-yl-methanone

Systemtic Name: [4-fluoranyl-2-nitro-5-(3-oxidanylpropylsulfanyl)phenyl]-piperazin-1-yl-methanone Openeye Name: [4-fluoro-5-(3-hydroxypropylsulfanyl)-2-nitro-phenyl]-piperazin-1-yl-methanone CAS Name: [4-fluoro-5-(3-hydroxypropylthio)-2-nitrophenyl]-(1-piperazinyl)methanone IUPAC Name: [4-fluoro-5-(3-hydroxypropylsulfanyl)-2-nitrophenyl]-piperazin-1-ylmethanone Traditional Name: [4-fluoro-5-(3-hydroxypropylthio)-2-nitro-phenyl]-piperazino-methanone Formula: C14H18FN3O4S MolecularWeight: 343.373823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])F)SCCCO

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])F)SCCCO

InChI

InChI=1S/C14H18FN3O4S/c15-11-9-12(18(21)22)10(8-13(11)23-7-1-6-19)14(20)17-4-2-16-3-5-17/h8-9,16,19H,1-7H2