4-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carbonitrile Openeye Name: 4-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carbonitrile CAS Name: 4-[[2-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]-2,6-dimethyl-5-pyrimidinecarbonitrile IUPAC Name: 4-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-2,6-dimethylpyrimidine-5-carbonitrile Traditional Name: 4-[[2-[4-(4-fluorophenyl)sulfonylpiperazino]-2-keto-ethyl]thio]-2,6-dimethyl-pyrimidine-5-carbonitrile Formula: C19H20FN5O3S2 MolecularWeight: 449.522203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C19H20FN5O3S2/c1-13-17(11-21)19(23-14(2)22-13)29-12-18(26)24-7-9-25(10-8-24)30(27,28)16-5-3-15(20)4-6-16/h3-6H,7-10,12H2,1-2H3