3-[(4-chlorophenyl)methylsulfanyl]-5-(pyrimidin-2-ylamino)-1,2-thiazole-4-carboxamide

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(pyrimidin-2-ylamino)-1,2-thiazole-4-carboxamide Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(pyrimidin-2-ylamino)isothiazole-4-carboxamide CAS Name: 3-[(4-chlorophenyl)methylthio]-5-(2-pyrimidinylamino)-4-isothiazolecarboxamide IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(pyrimidin-2-ylamino)-1,2-thiazole-4-carboxamide Traditional Name: 3-[(4-chlorobenzyl)thio]-5-(2-pyrimidylamino)isothiazole-4-carboxamide Formula: C15H12ClN5OS2 MolecularWeight: 377.87168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC2=C(C(=NS2)SCC3=CC=C(C=C3)Cl)C(=O)N

Isomeric SMILES

C1=CN=C(N=C1)NC2=C(C(=NS2)SCC3=CC=C(C=C3)Cl)C(=O)N

InChI

InChI=1S/C15H12ClN5OS2/c16-10-4-2-9(3-5-10)8-23-14-11(12(17)22)13(24-21-14)20-15-18-6-1-7-19-15/h1-7H,8H2,(H2,17,22)(H,18,19,20)