5-chloranyl-2-methylsulfanyl-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]pyrimidine-4-carboxamide Openeye Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-pyrimidinecarboxamide IUPAC Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-5-chloro-2-(methylthio)pyrimidine-4-carboxamide Formula: C23H20ClN5OS MolecularWeight: 449.9558

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H20ClN5OS/c1-31-23-26-13-19(24)21(27-23)22(30)25-12-18-15-29(14-16-8-4-2-5-9-16)28-20(18)17-10-6-3-7-11-17/h2-11,13,15H,12,14H2,1H3,(H,25,30)