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

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-methoxy-4-methylsulfanyl-benzamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-methoxy-4-methylsulfanyl-benzamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-2-methoxy-4-(methylthio)benzamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methoxy-4-methylsulfanylbenzamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-methoxy-4-(methylthio)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=C(C=C(C=C3)SC)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=C(C=C(C=C3)SC)OC

InChI

InChI=1S/C21H23N3O2S/c1-14-19(15(2)24(23-14)16-8-6-5-7-9-16)13-22-21(25)18-11-10-17(27-4)12-20(18)26-3/h5-12H,13H2,1-4H3,(H,22,25)