5-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(4-fluorobenzyl)thio]pyrimidine-4-carboxamide Formula: C21H16ClFN4O2S2 MolecularWeight: 474.958743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC(=NC=C3Cl)SCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC(=NC=C3Cl)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C21H16ClFN4O2S2/c1-2-29-14-7-8-16-17(9-14)31-21(25-16)27-19(28)18-15(22)10-24-20(26-18)30-11-12-3-5-13(23)6-4-12/h3-10H,2,11H2,1H3,(H,25,27,28)