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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NSC(=C2C(=O)N)NC3=NC=NC=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=NSC(=C2C(=O)N)NC3=NC=NC=C3)Cl

InChI

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