3-chloranyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile

Systemtic Name: 3-chloranyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile Openeye Name: 3-chloro-5-[4-(3-pyridylmethyl)piperazin-1-yl]isothiazole-4-carbonitrile CAS Name: 3-chloro-5-[4-(3-pyridinylmethyl)-1-piperazinyl]-4-isothiazolecarbonitrile IUPAC Name: 3-chloro-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile Traditional Name: 3-chloro-5-[4-(3-pyridylmethyl)piperazino]isothiazole-4-carbonitrile Formula: C14H14ClN5S MolecularWeight: 319.81246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C3=C(C(=NS3)Cl)C#N

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C3=C(C(=NS3)Cl)C#N

InChI

InChI=1S/C14H14ClN5S/c15-13-12(8-16)14(21-18-13)20-6-4-19(5-7-20)10-11-2-1-3-17-9-11/h1-3,9H,4-7,10H2