3-chloranyl-5-[[6-(2-methoxyethoxy)pyridin-3-yl]methylamino]-1,2-thiazole-4-carbonitrile

Systemtic Name: 3-chloranyl-5-[[6-(2-methoxyethoxy)pyridin-3-yl]methylamino]-1,2-thiazole-4-carbonitrile Openeye Name: 3-chloro-5-[[6-(2-methoxyethoxy)-3-pyridyl]methylamino]isothiazole-4-carbonitrile CAS Name: 3-chloro-5-[[6-(2-methoxyethoxy)-3-pyridinyl]methylamino]-4-isothiazolecarbonitrile IUPAC Name: 3-chloro-5-[[6-(2-methoxyethoxy)pyridin-3-yl]methylamino]-1,2-thiazole-4-carbonitrile Traditional Name: 3-chloro-5-[[6-(2-methoxyethoxy)-3-pyridyl]methylamino]isothiazole-4-carbonitrile Formula: C13H13ClN4O2S MolecularWeight: 324.78592

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NC=C(C=C1)CNC2=C(C(=NS2)Cl)C#N

Isomeric SMILES

COCCOC1=NC=C(C=C1)CNC2=C(C(=NS2)Cl)C#N

InChI

InChI=1S/C13H13ClN4O2S/c1-19-4-5-20-11-3-2-9(7-16-11)8-17-13-10(6-15)12(14)18-21-13/h2-3,7,17H,4-5,8H2,1H3