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

Systemtic Name: 3-chloranyl-5-[(6-pyrrolidin-1-ylpyridin-3-yl)methylamino]-1,2-thiazole-4-carbonitrile Openeye Name: 3-chloro-5-[(6-pyrrolidin-1-yl-3-pyridyl)methylamino]isothiazole-4-carbonitrile CAS Name: 3-chloro-5-[[6-(1-pyrrolidinyl)-3-pyridinyl]methylamino]-4-isothiazolecarbonitrile IUPAC Name: 3-chloro-5-[(6-pyrrolidin-1-ylpyridin-3-yl)methylamino]-1,2-thiazole-4-carbonitrile Traditional Name: 3-chloro-5-[(6-pyrrolidino-3-pyridyl)methylamino]isothiazole-4-carbonitrile Formula: C14H14ClN5S MolecularWeight: 319.81246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C=C2)CNC3=C(C(=NS3)Cl)C#N

Isomeric SMILES

C1CCN(C1)C2=NC=C(C=C2)CNC3=C(C(=NS3)Cl)C#N

InChI

InChI=1S/C14H14ClN5S/c15-13-11(7-16)14(21-19-13)18-9-10-3-4-12(17-8-10)20-5-1-2-6-20/h3-4,8,18H,1-2,5-6,9H2