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

Systemtic Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile Openeye Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile CAS Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]ethylthio]-3-pyridinecarbonitrile IUPAC Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]pyridine-3-carbonitrile Traditional Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]ethylthio]nicotinonitrile Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2S/c21-15-16-3-2-6-22-20(16)27-14-11-23-7-9-24(10-8-23)17-4-1-5-18-19(17)26-13-12-25-18/h1-6H,7-14H2