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

Systemtic Name: 5-chloranyl-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-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-(prop-2-enylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-prop-2-enylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Formula: C15H10ClFN4OS2 MolecularWeight: 380.847503

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)F)Cl

Isomeric SMILES

C=CCSC1=NC=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)F)Cl

InChI

InChI=1S/C15H10ClFN4OS2/c1-2-5-23-14-18-7-9(16)12(20-14)13(22)21-15-19-10-4-3-8(17)6-11(10)24-15/h2-4,6-7H,1,5H2,(H,19,21,22)