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

Systemtic Name: 5-bromanyl-2-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Openeye Name: 5-bromo-2-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide CAS Name: 5-bromo-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-2-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 5-bromo-N-(6-mesyl-1,3-benzothiazol-2-yl)-2-(methylthio)pyrimidine-4-carboxamide Formula: C14H11BrN4O3S3 MolecularWeight: 459.36114

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)Br

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)Br

InChI

InChI=1S/C14H11BrN4O3S3/c1-23-13-16-6-8(15)11(18-13)12(20)19-14-17-9-4-3-7(25(2,21)22)5-10(9)24-14/h3-6H,1-2H3,(H,17,19,20)