4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyridine-3-carbonitrile Openeye Name: 4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-6-phenyl-pyridine-3-carbonitrile CAS Name: 4-(4-fluorophenyl)-2-[[2-(4-methyl-1-piperazinyl)-2-oxoethyl]thio]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-6-phenylpyridine-3-carbonitrile Traditional Name: 4-(4-fluorophenyl)-2-[[2-keto-2-(4-methylpiperazino)ethyl]thio]-6-phenyl-nicotinonitrile Formula: C25H23FN4OS MolecularWeight: 446.539723

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)F)C#N

Isomeric SMILES

CN1CCN(CC1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C25H23FN4OS/c1-29-11-13-30(14-12-29)24(31)17-32-25-22(16-27)21(18-7-9-20(26)10-8-18)15-23(28-25)19-5-3-2-4-6-19/h2-10,15H,11-14,17H2,1H3