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

Systemtic Name: 3-chloranyl-5-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1,2-thiazole-4-carbonitrile Openeye Name: 3-chloro-5-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-1-yl]isothiazole-4-carbonitrile CAS Name: 3-chloro-5-[4-[(3-methyl-5-isoxazolyl)methyl]-1-piperazinyl]-4-isothiazolecarbonitrile IUPAC Name: 3-chloro-5-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1,2-thiazole-4-carbonitrile Traditional Name: 3-chloro-5-[4-[(3-methylisoxazol-5-yl)methyl]piperazino]isothiazole-4-carbonitrile Formula: C13H14ClN5OS MolecularWeight: 323.80116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CN2CCN(CC2)C3=C(C(=NS3)Cl)C#N

Isomeric SMILES

CC1=NOC(=C1)CN2CCN(CC2)C3=C(C(=NS3)Cl)C#N

InChI

InChI=1S/C13H14ClN5OS/c1-9-6-10(20-16-9)8-18-2-4-19(5-3-18)13-11(7-15)12(14)17-21-13/h6H,2-5,8H2,1H3