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

Systemtic Name: 2-[5-azanyl-3-methylsulfanyl-4-(phenylsulfonyl)pyrazol-1-yl]-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[5-amino-4-(benzenesulfonyl)-3-methylsulfanyl-pyrazol-1-yl]-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[5-amino-4-(benzenesulfonyl)-3-(methylthio)-1-pyrazolyl]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[5-amino-4-(benzenesulfonyl)-3-methylsulfanylpyrazol-1-yl]-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[5-amino-4-besyl-3-(methylthio)pyrazol-1-yl]-N-p-phenetyl-acetamide Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CN2C(=C(C(=N2)SC)S(=O)(=O)C3=CC=CC=C3)N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CN2C(=C(C(=N2)SC)S(=O)(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C20H22N4O4S2/c1-3-28-15-11-9-14(10-12-15)22-17(25)13-24-19(21)18(20(23-24)29-2)30(26,27)16-7-5-4-6-8-16/h4-12H,3,13,21H2,1-2H3,(H,22,25)