5-chloranyl-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfonyl-5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfonyl-5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 2-benzylsulfonyl-5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Formula: C19H12ClFN4O3S2 MolecularWeight: 462.904983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C19H12ClFN4O3S2/c20-13-9-22-19(30(27,28)10-11-4-2-1-3-5-11)24-16(13)17(26)25-18-23-14-7-6-12(21)8-15(14)29-18/h1-9H,10H2,(H,23,25,26)