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

Systemtic Name: 6-chloranyl-2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile Openeye Name: 6-chloro-2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile CAS Name: 6-chloro-2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]ethylthio]-3-pyridinecarbonitrile IUPAC Name: 6-chloro-2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile Traditional Name: 6-chloro-2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]ethylthio]nicotinonitrile Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O2S/c21-18-5-4-15(14-22)20(23-18)28-13-10-24-6-8-25(9-7-24)16-2-1-3-17-19(16)27-12-11-26-17/h1-5H,6-13H2