N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-[4-(2-thienylsulfonylamino)phenyl]sulfanyl-acetamide CAS Name: N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-[[4-(thiophen-2-ylsulfonylamino)phenyl]thio]acetamide IUPAC Name: N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide Traditional Name: N-(5-keto-1-phenyl-2-pyrazolin-3-yl)-2-[[4-(2-thienylsulfonylamino)phenyl]thio]acetamide Formula: C21H18N4O4S3 MolecularWeight: 486.58702

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)CSC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)CSC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H18N4O4S3/c26-19(22-18-13-20(27)25(23-18)16-5-2-1-3-6-16)14-31-17-10-8-15(9-11-17)24-32(28,29)21-7-4-12-30-21/h1-12,24H,13-14H2,(H,22,23,26)