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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[4-(p-tolylsulfonylamino)phenyl]sulfanyl-acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]thio]acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[[4-(tosylamino)phenyl]thio]acetamide Formula: C26H26N4O4S2 MolecularWeight: 522.63904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C26H26N4O4S2/c1-18-9-15-23(16-10-18)36(33,34)28-20-11-13-22(14-12-20)35-17-24(31)27-25-19(2)29(3)30(26(25)32)21-7-5-4-6-8-21/h4-16,28H,17H2,1-3H3,(H,27,31)