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

Systemtic Name: 2-[5-azanyl-3-ethylsulfanyl-4-(phenylsulfonyl)pyrazol-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanyl-pyrazol-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[5-amino-4-(benzenesulfonyl)-3-(ethylthio)-1-pyrazolyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[5-amino-4-besyl-3-(ethylthio)pyrazol-1-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)N)CC(=O)NC3=CC=CC(=C3C)C

Isomeric SMILES

CCSC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)N)CC(=O)NC3=CC=CC(=C3C)C

InChI

InChI=1S/C21H24N4O3S2/c1-4-29-21-19(30(27,28)16-10-6-5-7-11-16)20(22)25(24-21)13-18(26)23-17-12-8-9-14(2)15(17)3/h5-12H,4,13,22H2,1-3H3,(H,23,26)