3-chloranyl-5-[[4-(methylsulfonylmethyl)phenyl]methylamino]-1,2-thiazole-4-carbonitrile

Systemtic Name: 3-chloranyl-5-[[4-(methylsulfonylmethyl)phenyl]methylamino]-1,2-thiazole-4-carbonitrile Openeye Name: 3-chloro-5-[[4-(methylsulfonylmethyl)phenyl]methylamino]isothiazole-4-carbonitrile CAS Name: 3-chloro-5-[[4-(methylsulfonylmethyl)phenyl]methylamino]-4-isothiazolecarbonitrile IUPAC Name: 3-chloro-5-[[4-(methylsulfonylmethyl)phenyl]methylamino]-1,2-thiazole-4-carbonitrile Traditional Name: 3-chloro-5-[[4-(mesylmethyl)benzyl]amino]isothiazole-4-carbonitrile Formula: C13H12ClN3O2S2 MolecularWeight: 341.83628

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=C(C=C1)CNC2=C(C(=NS2)Cl)C#N

Isomeric SMILES

CS(=O)(=O)CC1=CC=C(C=C1)CNC2=C(C(=NS2)Cl)C#N

InChI

InChI=1S/C13H12ClN3O2S2/c1-21(18,19)8-10-4-2-9(3-5-10)7-16-13-11(6-15)12(14)17-20-13/h2-5,16H,7-8H2,1H3