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

Systemtic Name: 2-[4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]butylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]butylthio]-4,6-dimethyl-nicotinonitrile Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCCCN2CCN(CC2)C3=C4C(=CC=C3)OCCO4)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCCCN2CCN(CC2)C3=C4C(=CC=C3)OCCO4)C

InChI

InChI=1S/C24H30N4O2S/c1-18-16-19(2)26-24(20(18)17-25)31-15-4-3-8-27-9-11-28(12-10-27)21-6-5-7-22-23(21)30-14-13-29-22/h5-7,16H,3-4,8-15H2,1-2H3