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

Systemtic Name: 5-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(o-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(2-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(2-methylbenzyl)thio]pyrimidine-4-carboxamide Formula: C22H19ClN4O2S2 MolecularWeight: 470.99486

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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=CC=C4C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC(=NC=C3Cl)SCC4=CC=CC=C4C

InChI

InChI=1S/C22H19ClN4O2S2/c1-3-29-15-8-9-17-18(10-15)31-22(25-17)27-20(28)19-16(23)11-24-21(26-19)30-12-14-7-5-4-6-13(14)2/h4-11H,3,12H2,1-2H3,(H,25,27,28)