5-chloranyl-N-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)phenyl]-2-propylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)phenyl]-2-propylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)phenyl]-2-propylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)phenyl]-2-(propylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)phenyl]-2-propylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[4-(6-mesyl-1,3-benzothiazol-2-yl)phenyl]-2-(propylthio)pyrimidine-4-carboxamide Formula: C22H19ClN4O3S3 MolecularWeight: 519.05926

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)Cl

Isomeric SMILES

CCCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)Cl

InChI

InChI=1S/C22H19ClN4O3S3/c1-3-10-31-22-24-12-16(23)19(27-22)20(28)25-14-6-4-13(5-7-14)21-26-17-9-8-15(33(2,29)30)11-18(17)32-21/h4-9,11-12H,3,10H2,1-2H3,(H,25,28)