N-methylsulfonyl-2-(2-phenylsulfanylphenyl)-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: N-methylsulfonyl-2-(2-phenylsulfanylphenyl)-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: N-methylsulfonyl-2-(2-phenylsulfanylphenyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: N-methylsulfonyl-2-[2-(phenylthio)phenyl]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: N-methylsulfonyl-2-(2-phenylsulfanylphenyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: N-mesyl-2-[2-(phenylthio)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)N(C(=O)CC2=CC=CC=C2SC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NN1C)C)N(C(=O)CC2=CC=CC=C2SC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H23N3O3S2/c1-15-21(16(2)23(3)22-15)24(29(4,26)27)20(25)14-17-10-8-9-13-19(17)28-18-11-6-5-7-12-18/h5-13H,14H2,1-4H3