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

Systemtic Name: 2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-4-(4-methylpiperazin-1-yl)-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-4-(4-methyl-1-piperazinyl)-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]-4-(4-methylpiperazino)-6-(2-thienyl)nicotinonitrile Formula: C23H21FN4OS2 MolecularWeight: 452.567443

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

CN1CCN(CC1)C2=CC(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C23H21FN4OS2/c1-27-8-10-28(11-9-27)20-13-19(22-3-2-12-30-22)26-23(18(20)14-25)31-15-21(29)16-4-6-17(24)7-5-16/h2-7,12-13H,8-11,15H2,1H3