2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]ethylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]ethylthio]-4,6-dimethyl-nicotinonitrile Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCN2CCN(CC2)C3=C4C(=C(C=C3)C#N)OCCO4)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCN2CCN(CC2)C3=C4C(=C(C=C3)C#N)OCCO4)C

InChI

InChI=1S/C23H25N5O2S/c1-16-13-17(2)26-23(19(16)15-25)31-12-9-27-5-7-28(8-6-27)20-4-3-18(14-24)21-22(20)30-11-10-29-21/h3-4,13H,5-12H2,1-2H3