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

Systemtic Name: 5-chloranyl-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(m-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(3-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(3-methylbenzyl)thio]pyrimidine-4-carboxamide Formula: C20H14ClFN4OS2 MolecularWeight: 444.932763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F)Cl

InChI

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