5-chloranyl-2-methylsulfanyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[2-(1-phenyl-4-pyrazolyl)ethyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-[2-(1-phenylpyrazol-4-yl)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=CN(N=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCCC2=CN(N=C2)C3=CC=CC=C3)Cl

InChI

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