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

Systemtic Name: 4,6-dimethyl-2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-(4-besylpiperazino)-2-keto-ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S2/c1-15-12-16(2)22-20(18(15)13-21)28-14-19(25)23-8-10-24(11-9-23)29(26,27)17-6-4-3-5-7-17/h3-7,12H,8-11,14H2,1-2H3