5-chloranyl-N-naphthalen-2-yl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-naphthalen-2-yl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-chloro-N-(2-naphthyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(2-naphthalenyl)-2-(phenylmethylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-chloro-N-naphthalen-2-ylpyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-chloro-N-(2-naphthyl)pyrimidine-4-carboxamide Formula: C22H16ClN3OS MolecularWeight: 405.89994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC4=CC=CC=C4C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC4=CC=CC=C4C=C3)Cl

InChI

InChI=1S/C22H16ClN3OS/c23-19-13-24-22(28-14-15-6-2-1-3-7-15)26-20(19)21(27)25-18-11-10-16-8-4-5-9-17(16)12-18/h1-13H,14H2,(H,25,27)