5-chloranyl-2-methylsulfanyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-[4-(1H-pyrazol-5-yl)benzyl]pyrimidine-4-carboxamide Formula: C16H14ClN5OS MolecularWeight: 359.83326

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCC2=CC=C(C=C2)C3=CC=NN3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCC2=CC=C(C=C2)C3=CC=NN3)Cl

InChI

InChI=1S/C16H14ClN5OS/c1-24-16-19-9-12(17)14(21-16)15(23)18-8-10-2-4-11(5-3-10)13-6-7-20-22-13/h2-7,9H,8H2,1H3,(H,18,23)(H,20,22)