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

Systemtic Name: 6-chloranyl-2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile Openeye Name: 6-chloro-2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile CAS Name: 6-chloro-2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]ethylthio]-3-pyridinecarbonitrile IUPAC Name: 6-chloro-2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile Traditional Name: 6-chloro-2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]ethylthio]nicotinonitrile Formula: C21H20ClN5O2S MolecularWeight: 441.9338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCSC2=C(C=CC(=N2)Cl)C#N)C3=C4C(=C(C=C3)C#N)OCCO4

Isomeric SMILES

C1CN(CCN1CCSC2=C(C=CC(=N2)Cl)C#N)C3=C4C(=C(C=C3)C#N)OCCO4

InChI

InChI=1S/C21H20ClN5O2S/c22-18-4-2-16(14-24)21(25-18)30-12-9-26-5-7-27(8-6-26)17-3-1-15(13-23)19-20(17)29-11-10-28-19/h1-4H,5-12H2