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

Systemtic Name: 6-(2-chlorophenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-pyridine-3-carbonitrile Openeye Name: 6-(2-chlorophenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-4-phenyl-pyridine-3-carbonitrile CAS Name: 6-(2-chlorophenyl)-2-[[2-(4-methyl-1-piperazinyl)-2-oxoethyl]thio]-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-(2-chlorophenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4-phenylpyridine-3-carbonitrile Traditional Name: 6-(2-chlorophenyl)-2-[[2-keto-2-(4-methylpiperazino)ethyl]thio]-4-phenyl-nicotinonitrile Formula: C25H23ClN4OS MolecularWeight: 462.99432

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3Cl)C4=CC=CC=C4)C#N

Isomeric SMILES

CN1CCN(CC1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3Cl)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H23ClN4OS/c1-29-11-13-30(14-12-29)24(31)17-32-25-21(16-27)20(18-7-3-2-4-8-18)15-23(28-25)19-9-5-6-10-22(19)26/h2-10,15H,11-14,17H2,1H3