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

Systemtic Name: 5-chloranyl-N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-2-(phenylmethylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Formula: C19H12Cl2N4OS2 MolecularWeight: 447.36078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12Cl2N4OS2/c20-12-6-7-14-15(8-12)28-19(23-14)25-17(26)16-13(21)9-22-18(24-16)27-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,23,25,26)