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

Systemtic Name: 4,6-dimethyl-2-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C24H24N4O3S2 MolecularWeight: 480.60236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C24H24N4O3S2/c1-17-13-18(2)26-24(22(17)15-25)32-16-23(29)27-9-11-28(12-10-27)33(30,31)21-8-7-19-5-3-4-6-20(19)14-21/h3-8,13-14H,9-12,16H2,1-2H3