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

Systemtic Name: 5-chloranyl-2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile Openeye Name: 5-chloro-2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile CAS Name: 5-chloro-2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]ethylthio]-3-pyridinecarbonitrile IUPAC Name: 5-chloro-2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile Traditional Name: 5-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=NC=C(C=C2C#N)Cl)C3=C4C(=C(C=C3)C#N)OCCO4

Isomeric SMILES

C1CN(CCN1CCSC2=NC=C(C=C2C#N)Cl)C3=C4C(=C(C=C3)C#N)OCCO4

InChI

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