1-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone Openeye Name: 1-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone CAS Name: 1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-2-[(4-nitrophenyl)thio]ethanone IUPAC Name: 1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-(4-nitrophenyl)sulfanylethanone Traditional Name: 1-[4-(3-fluoro-4-methoxy-benzyl)piperazino]-2-[(4-nitrophenyl)thio]ethanone Formula: C20H22FN3O4S MolecularWeight: 419.469783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C20H22FN3O4S/c1-28-19-7-2-15(12-18(19)21)13-22-8-10-23(11-9-22)20(25)14-29-17-5-3-16(4-6-17)24(26)27/h2-7,12H,8-11,13-14H2,1H3