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

Systemtic Name: 3-chloranyl-5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,2-thiazole-4-carbonitrile Openeye Name: 3-chloro-5-[4-[(2-methylthiazol-4-yl)methyl]piperazin-1-yl]isothiazole-4-carbonitrile CAS Name: 3-chloro-5-[4-[(2-methyl-4-thiazolyl)methyl]-1-piperazinyl]-4-isothiazolecarbonitrile IUPAC Name: 3-chloro-5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,2-thiazole-4-carbonitrile Traditional Name: 3-chloro-5-[4-[(2-methylthiazol-4-yl)methyl]piperazino]isothiazole-4-carbonitrile Formula: C13H14ClN5S2 MolecularWeight: 339.86676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCN(CC2)C3=C(C(=NS3)Cl)C#N

Isomeric SMILES

CC1=NC(=CS1)CN2CCN(CC2)C3=C(C(=NS3)Cl)C#N

InChI

InChI=1S/C13H14ClN5S2/c1-9-16-10(8-20-9)7-18-2-4-19(5-3-18)13-11(6-15)12(14)17-21-13/h8H,2-5,7H2,1H3