3-chloranyl-5-[1-(4-methylsulfonylphenyl)ethylamino]-1,2-thiazole-4-carbonitrile

Systemtic Name: 3-chloranyl-5-[1-(4-methylsulfonylphenyl)ethylamino]-1,2-thiazole-4-carbonitrile Openeye Name: 3-chloro-5-[1-(4-methylsulfonylphenyl)ethylamino]isothiazole-4-carbonitrile CAS Name: 3-chloro-5-[1-(4-methylsulfonylphenyl)ethylamino]-4-isothiazolecarbonitrile IUPAC Name: 3-chloro-5-[1-(4-methylsulfonylphenyl)ethylamino]-1,2-thiazole-4-carbonitrile Traditional Name: 3-chloro-5-[1-(4-mesylphenyl)ethylamino]isothiazole-4-carbonitrile Formula: C13H12ClN3O2S2 MolecularWeight: 341.83628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC2=C(C(=NS2)Cl)C#N

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC2=C(C(=NS2)Cl)C#N

InChI

InChI=1S/C13H12ClN3O2S2/c1-8(16-13-11(7-15)12(14)17-20-13)9-3-5-10(6-4-9)21(2,18)19/h3-6,8,16H,1-2H3