[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone

Systemtic Name: [4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone Openeye Name: [4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-(2-thioxo-1H-pyridin-3-yl)methanone CAS Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone IUPAC Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone Traditional Name: [4-(3-fluoro-4-methoxy-benzyl)piperazino]-(2-thioxo-1H-pyridin-3-yl)methanone Formula: C18H20FN3O2S MolecularWeight: 361.433703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CNC3=S)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CNC3=S)F

InChI

InChI=1S/C18H20FN3O2S/c1-24-16-5-4-13(11-15(16)19)12-21-7-9-22(10-8-21)18(23)14-3-2-6-20-17(14)25/h2-6,11H,7-10,12H2,1H3,(H,20,25)