N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(methylsulfinylmethyl)benzamide

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(methylsulfinylmethyl)benzamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(methylsulfinylmethyl)benzamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-3-(methylsulfinylmethyl)benzamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(methylsulfinylmethyl)benzamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(methylsulfinylmethyl)benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC(=CC=C3)CS(=O)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC(=CC=C3)CS(=O)C

InChI

InChI=1S/C21H23N3O2S/c1-15-20(16(2)24(23-15)19-10-5-4-6-11-19)13-22-21(25)18-9-7-8-17(12-18)14-27(3)26/h4-12H,13-14H2,1-3H3,(H,22,25)