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

Systemtic Name: 4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoylamino]-N-methyl-benzamide Openeye Name: 4-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylacetyl]amino]-N-methyl-benzamide CAS Name: 4-[[2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]amino]-N-methylbenzamide Traditional Name: 4-[[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]acetyl]amino]-N-methyl-benzamide Formula: C21H22N4O2S MolecularWeight: 394.48998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)NC3=CC=C(C=C3)C(=O)NC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)NC3=CC=C(C=C3)C(=O)NC

InChI

InChI=1S/C21H22N4O2S/c1-14-20(15(2)25(24-14)18-7-5-4-6-8-18)28-13-19(26)23-17-11-9-16(10-12-17)21(27)22-3/h4-12H,13H2,1-3H3,(H,22,27)(H,23,26)