1-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-4,5,6-trimethyl-2-sulfanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-4,5,6-trimethyl-2-sulfanylidene-pyridine-3-carbonitrile Openeye Name: 1-[[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-4,5,6-trimethyl-2-thioxo-pyridine-3-carbonitrile CAS Name: 1-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazinyl]methyl]-4,5,6-trimethyl-2-sulfanylidene-3-pyridinecarbonitrile IUPAC Name: 1-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-4,5,6-trimethyl-2-sulfanylidenepyridine-3-carbonitrile Traditional Name: 1-[[4-(5-fluoro-2-methoxy-benzyl)piperazino]methyl]-4,5,6-trimethyl-2-thioxo-nicotinonitrile Formula: C22H27FN4OS MolecularWeight: 414.539383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)C(=C1C)C#N)CN2CCN(CC2)CC3=C(C=CC(=C3)F)OC)C

Isomeric SMILES

CC1=C(N(C(=S)C(=C1C)C#N)CN2CCN(CC2)CC3=C(C=CC(=C3)F)OC)C

InChI

InChI=1S/C22H27FN4OS/c1-15-16(2)20(12-24)22(29)27(17(15)3)14-26-9-7-25(8-10-26)13-18-11-19(23)5-6-21(18)28-4/h5-6,11H,7-10,13-14H2,1-4H3