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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-phenyl-2-[4-(2-thienylsulfonylamino)phenyl]sulfanyl-acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-phenyl-2-[[4-(thiophen-2-ylsulfonylamino)phenyl]thio]acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-phenyl-2-[[4-(2-thienylsulfonylamino)phenyl]thio]acetamide Formula: C29H26N4O4S3 MolecularWeight: 590.73614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=C(C=C4)NS(=O)(=O)C5=CC=CS5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=C(C=C4)NS(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C29H26N4O4S3/c1-20-26(29(35)33(32(20)2)23-12-7-4-8-13-23)30-28(34)27(21-10-5-3-6-11-21)39-24-17-15-22(16-18-24)31-40(36,37)25-14-9-19-38-25/h3-19,27,31H,1-2H3,(H,30,34)