2-[2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]sulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl]thio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-[4-(2-chloro-6-fluoro-benzyl)piperazino]-2-keto-ethyl]thio]-6-methyl-nicotinonitrile Formula: C22H22ClFN4O2S MolecularWeight: 460.952083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F)C#N)C(=O)C

InChI

InChI=1S/C22H22ClFN4O2S/c1-14-17(15(2)29)10-16(11-25)22(26-14)31-13-21(30)28-8-6-27(7-9-28)12-18-19(23)4-3-5-20(18)24/h3-5,10H,6-9,12-13H2,1-2H3