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

Systemtic Name: 4,6-dimethyl-2-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[2-oxo-2-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-[4-[(E)-styryl]sulfonylpiperazino]ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S2/c1-17-14-18(2)24-22(20(17)15-23)30-16-21(27)25-9-11-26(12-10-25)31(28,29)13-8-19-6-4-3-5-7-19/h3-8,13-14H,9-12,16H2,1-2H3/b13-8+