2-[2-(4-bromophenyl)sulfanylethanoylamino]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: 2-[2-(4-bromophenyl)sulfanylethanoylamino]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-[[2-[(4-bromophenyl)thio]acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C16H19BrN4O2S MolecularWeight: 411.31666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)CNC(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)CNC(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H19BrN4O2S/c1-10-16(11(2)21(3)20-10)19-14(22)8-18-15(23)9-24-13-6-4-12(17)5-7-13/h4-7H,8-9H2,1-3H3,(H,18,23)(H,19,22)