2-[5-azanyl-4-(4-methylphenyl)sulfonyl-3-methylsulfanyl-pyrazol-1-yl]-N-(4-chlorophenyl)ethanamide

Systemtic Name: 2-[5-azanyl-4-(4-methylphenyl)sulfonyl-3-methylsulfanyl-pyrazol-1-yl]-N-(4-chlorophenyl)ethanamide Openeye Name: 2-[5-amino-3-methylsulfanyl-4-(p-tolylsulfonyl)pyrazol-1-yl]-N-(4-chlorophenyl)acetamide CAS Name: 2-[5-amino-4-(4-methylphenyl)sulfonyl-3-(methylthio)-1-pyrazolyl]-N-(4-chlorophenyl)acetamide IUPAC Name: 2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(4-chlorophenyl)acetamide Traditional Name: 2-[5-amino-3-(methylthio)-4-tosyl-pyrazol-1-yl]-N-(4-chlorophenyl)acetamide Formula: C19H19ClN4O3S2 MolecularWeight: 450.96216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2SC)CC(=O)NC3=CC=C(C=C3)Cl)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2SC)CC(=O)NC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C19H19ClN4O3S2/c1-12-3-9-15(10-4-12)29(26,27)17-18(21)24(23-19(17)28-2)11-16(25)22-14-7-5-13(20)6-8-14/h3-10H,11,21H2,1-2H3,(H,22,25)