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

Systemtic Name: 4-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoyl-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylacetyl]-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]-1-oxoethyl]-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]acetyl]-methyl-amino]methyl]-N-methyl-benzamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)N(C)CC3=CC=C(C=C3)C(=O)NC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)N(C)CC3=CC=C(C=C3)C(=O)NC

InChI

InChI=1S/C23H26N4O2S/c1-16-22(17(2)27(25-16)20-8-6-5-7-9-20)30-15-21(28)26(4)14-18-10-12-19(13-11-18)23(29)24-3/h5-13H,14-15H2,1-4H3,(H,24,29)