5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]-N-naphthalen-1-yl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]-N-naphthalen-1-yl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-(m-tolylmethylsulfanyl)-N-(1-naphthyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-[(3-methylphenyl)methylthio]-N-(1-naphthalenyl)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-[(3-methylphenyl)methylsulfanyl]-N-naphthalen-1-ylpyrimidine-4-carboxamide Traditional Name: 5-chloro-2-[(3-methylbenzyl)thio]-N-(1-naphthyl)pyrimidine-4-carboxamide Formula: C23H18ClN3OS MolecularWeight: 419.92652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC4=CC=CC=C43)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC4=CC=CC=C43)Cl

InChI

InChI=1S/C23H18ClN3OS/c1-15-6-4-7-16(12-15)14-29-23-25-13-19(24)21(27-23)22(28)26-20-11-5-9-17-8-2-3-10-18(17)20/h2-13H,14H2,1H3,(H,26,28)