5-chloranyl-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[(1,3-diphenyl-4-pyrazolyl)methyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C22H18ClN5OS MolecularWeight: 435.92922

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H18ClN5OS/c1-30-22-25-13-18(23)20(26-22)21(29)24-12-16-14-28(17-10-6-3-7-11-17)27-19(16)15-8-4-2-5-9-15/h2-11,13-14H,12H2,1H3,(H,24,29)