2-chloranyl-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-5-methylsulfanyl-benzamide

Systemtic Name: 2-chloranyl-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-5-methylsulfanyl-benzamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-chloro-5-methylsulfanyl-benzamide CAS Name: 2-chloro-N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-5-(methylthio)benzamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-chloro-5-methylsulfanylbenzamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-chloro-5-(methylthio)benzamide Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C21H22ClN3OS/c1-14-19(15(2)25(24-14)13-16-7-5-4-6-8-16)12-23-21(26)18-11-17(27-3)9-10-20(18)22/h4-11H,12-13H2,1-3H3,(H,23,26)