1-(4-ethylpiperazin-1-yl)-3-pyridin-2-ylsulfanyl-isoquinoline

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-pyridin-2-ylsulfanyl-isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-(2-pyridylsulfanyl)isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-3-(2-pyridinylthio)isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-pyridin-2-ylsulfanylisoquinoline Traditional Name: 1-(4-ethylpiperazino)-3-(2-pyridylthio)isoquinoline Formula: C20H22N4S MolecularWeight: 350.48048

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)SC4=CC=CC=N4

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)SC4=CC=CC=N4

InChI

InChI=1S/C20H22N4S/c1-2-23-11-13-24(14-12-23)20-17-8-4-3-7-16(17)15-19(22-20)25-18-9-5-6-10-21-18/h3-10,15H,2,11-14H2,1H3