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

Systemtic Name: 2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-[4-(4-fluorophenyl)sulfonylpiperazino]-2-keto-ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C20H21FN4O3S2 MolecularWeight: 448.534143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C20H21FN4O3S2/c1-14-11-15(2)23-20(18(14)12-22)29-13-19(26)24-7-9-25(10-8-24)30(27,28)17-5-3-16(21)4-6-17/h3-6,11H,7-10,13H2,1-2H3