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

Systemtic Name: 2-[3-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[3-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[3-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]propylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[3-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[3-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]propylthio]-4,6-dimethyl-nicotinonitrile Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCCN2CCN(CC2)C3=C4C(=C(C=C3)C#N)OCCO4)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCCN2CCN(CC2)C3=C4C(=C(C=C3)C#N)OCCO4)C

InChI

InChI=1S/C24H27N5O2S/c1-17-14-18(2)27-24(20(17)16-26)32-13-3-6-28-7-9-29(10-8-28)21-5-4-19(15-25)22-23(21)31-12-11-30-22/h4-5,14H,3,6-13H2,1-2H3