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

Systemtic Name: 2-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]propylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]propylthio]-4,6-dimethyl-nicotinonitrile Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2S/c1-17-15-18(2)25-23(19(17)16-24)30-14-4-7-26-8-10-27(11-9-26)20-5-3-6-21-22(20)29-13-12-28-21/h3,5-6,15H,4,7-14H2,1-2H3