5-[4-(2-pyridin-2-ylsulfanylethyl)piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-8-carbonitrile

Systemtic Name: 5-[4-(2-pyridin-2-ylsulfanylethyl)piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-8-carbonitrile Openeye Name: 5-[4-[2-(2-pyridylsulfanyl)ethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-8-carbonitrile CAS Name: 5-[4-[2-(2-pyridinylthio)ethyl]-1-piperazinyl]-2,3-dihydro-1,4-benzodioxin-8-carbonitrile IUPAC Name: 5-[4-(2-pyridin-2-ylsulfanylethyl)piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-8-carbonitrile Traditional Name: 5-[4-[2-(2-pyridylthio)ethyl]piperazino]-2,3-dihydro-1,4-benzodioxin-8-carbonitrile Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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