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

Systemtic Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-6-methyl-pyridine-3-carbonitrile CAS Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]ethylthio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-6-methylpyridine-3-carbonitrile Traditional Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]ethylthio]-6-methyl-nicotinonitrile Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCCN2CCN(CC2)C3=C4C(=CC=C3)OCCO4

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCCN2CCN(CC2)C3=C4C(=CC=C3)OCCO4

InChI

InChI=1S/C21H24N4O2S/c1-16-5-6-17(15-22)21(23-16)28-14-11-24-7-9-25(10-8-24)18-3-2-4-19-20(18)27-13-12-26-19/h2-6H,7-14H2,1H3