5-chloranyl-2-methylsulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[2-[4-(1-pyrazolyl)phenyl]ethyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrimidine-4-carboxamide Formula: C17H16ClN5OS MolecularWeight: 373.85984

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCCC2=CC=C(C=C2)N3C=CC=N3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCCC2=CC=C(C=C2)N3C=CC=N3)Cl

InChI

InChI=1S/C17H16ClN5OS/c1-25-17-20-11-14(18)15(22-17)16(24)19-9-7-12-3-5-13(6-4-12)23-10-2-8-21-23/h2-6,8,10-11H,7,9H2,1H3,(H,19,24)