2-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-[4-(2-fluorobenzyl)piperazino]-2-keto-ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C21H23FN4OS MolecularWeight: 398.496923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3F)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3F)C

InChI

InChI=1S/C21H23FN4OS/c1-15-11-16(2)24-21(18(15)12-23)28-14-20(27)26-9-7-25(8-10-26)13-17-5-3-4-6-19(17)22/h3-6,11H,7-10,13-14H2,1-2H3