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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)CN2C(=C(C(=N2)SCC)S(=O)(=O)C3=CC=CC=C3)N

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)CN2C(=C(C(=N2)SCC)S(=O)(=O)C3=CC=CC=C3)N

InChI

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