2-[5-azanyl-3-methylsulfanyl-4-(phenylsulfonyl)pyrazol-1-yl]-N-(2,5-dimethylphenyl)ethanamide

Systemtic Name: 2-[5-azanyl-3-methylsulfanyl-4-(phenylsulfonyl)pyrazol-1-yl]-N-(2,5-dimethylphenyl)ethanamide Openeye Name: 2-[5-amino-4-(benzenesulfonyl)-3-methylsulfanyl-pyrazol-1-yl]-N-(2,5-dimethylphenyl)acetamide CAS Name: 2-[5-amino-4-(benzenesulfonyl)-3-(methylthio)-1-pyrazolyl]-N-(2,5-dimethylphenyl)acetamide IUPAC Name: 2-[5-amino-4-(benzenesulfonyl)-3-methylsulfanylpyrazol-1-yl]-N-(2,5-dimethylphenyl)acetamide Traditional Name: 2-[5-amino-4-besyl-3-(methylthio)pyrazol-1-yl]-N-(2,5-dimethylphenyl)acetamide Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CN2C(=C(C(=N2)SC)S(=O)(=O)C3=CC=CC=C3)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CN2C(=C(C(=N2)SC)S(=O)(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C20H22N4O3S2/c1-13-9-10-14(2)16(11-13)22-17(25)12-24-19(21)18(20(23-24)28-3)29(26,27)15-7-5-4-6-8-15/h4-11H,12,21H2,1-3H3,(H,22,25)