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

Systemtic Name: 5-chloranyl-2-[(4-fluorophenyl)methylsulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-[(4-fluorophenyl)methylsulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-[(4-fluorophenyl)methylthio]-N-(6-methyl-1,3-benzothiazol-2-yl)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-[(4-fluorophenyl)methylsulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-[(4-fluorobenzyl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Formula: C20H14ClFN4OS2 MolecularWeight: 444.932763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC(=NC=C3Cl)SCC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC(=NC=C3Cl)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C20H14ClFN4OS2/c1-11-2-7-15-16(8-11)29-20(24-15)26-18(27)17-14(21)9-23-19(25-17)28-10-12-3-5-13(22)6-4-12/h2-9H,10H2,1H3,(H,24,26,27)