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

Systemtic Name: 4,6-dimethyl-2-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[[2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-[4-(3-nitrophenyl)sulfonylpiperazino]ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C20H21N5O5S2 MolecularWeight: 475.54124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H21N5O5S2/c1-14-10-15(2)22-20(18(14)12-21)31-13-19(26)23-6-8-24(9-7-23)32(29,30)17-5-3-4-16(11-17)25(27)28/h3-5,10-11H,6-9,13H2,1-2H3