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

Systemtic Name: 6-chloranyl-2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-4-methyl-pyridine-3-carbonitrile Openeye Name: 6-chloro-2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-4-methyl-pyridine-3-carbonitrile CAS Name: 6-chloro-2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]ethylthio]-4-methyl-3-pyridinecarbonitrile IUPAC Name: 6-chloro-2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-4-methylpyridine-3-carbonitrile Traditional Name: 6-chloro-2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]ethylthio]-4-methyl-nicotinonitrile Formula: C22H22ClN5O2S MolecularWeight: 455.96038

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN5O2S/c1-15-12-19(23)26-22(17(15)14-25)31-11-8-27-4-6-28(7-5-27)18-3-2-16(13-24)20-21(18)30-10-9-29-20/h2-3,12H,4-11H2,1H3