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

Systemtic Name: 1-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carbonitrile Openeye Name: 1-[[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethyl-2-thioxo-pyridine-3-carbonitrile CAS Name: 1-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazinyl]methyl]-4,6-dimethyl-2-sulfanylidene-3-pyridinecarbonitrile IUPAC Name: 1-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethyl-2-sulfanylidenepyridine-3-carbonitrile Traditional Name: 1-[[4-(5-fluoro-2-methoxy-benzyl)piperazino]methyl]-4,6-dimethyl-2-thioxo-nicotinonitrile Formula: C21H25FN4OS MolecularWeight: 400.512803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1CN2CCN(CC2)CC3=C(C=CC(=C3)F)OC)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1CN2CCN(CC2)CC3=C(C=CC(=C3)F)OC)C#N)C

InChI

InChI=1S/C21H25FN4OS/c1-15-10-16(2)26(21(28)19(15)12-23)14-25-8-6-24(7-9-25)13-17-11-18(22)4-5-20(17)27-3/h4-5,10-11H,6-9,13-14H2,1-3H3