5-bromanyl-2-ethylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-2-ethylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Openeye Name: 5-bromo-2-ethylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide CAS Name: 5-bromo-2-(ethylthio)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-2-ethylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 5-bromo-2-(ethylthio)-N-(6-mesyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Formula: C15H13BrN4O3S3 MolecularWeight: 473.38772

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)Br

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)Br

InChI

InChI=1S/C15H13BrN4O3S3/c1-3-24-14-17-7-9(16)12(19-14)13(21)20-15-18-10-5-4-8(26(2,22)23)6-11(10)25-15/h4-7H,3H2,1-2H3,(H,18,20,21)