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

Systemtic Name: 5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]-N-pyridin-3-yl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-(m-tolylmethylsulfanyl)-N-(3-pyridyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-[(3-methylphenyl)methylthio]-N-(3-pyridinyl)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-[(3-methylphenyl)methylsulfanyl]-N-pyridin-3-ylpyrimidine-4-carboxamide Traditional Name: 5-chloro-2-[(3-methylbenzyl)thio]-N-(3-pyridyl)pyrimidine-4-carboxamide Formula: C18H15ClN4OS MolecularWeight: 370.8559

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CN=CC=C3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CN=CC=C3)Cl

InChI

InChI=1S/C18H15ClN4OS/c1-12-4-2-5-13(8-12)11-25-18-21-10-15(19)16(23-18)17(24)22-14-6-3-7-20-9-14/h2-10H,11H2,1H3,(H,22,24)