2-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(4-methylphenyl)benzamide

Systemtic Name: 2-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(4-methylphenyl)benzamide Openeye Name: 2-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]sulfanyl-N-(p-tolyl)benzamide CAS Name: 2-[[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl]thio]-N-(4-methylphenyl)benzamide IUPAC Name: 2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)benzamide Traditional Name: 2-[[2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl]thio]-N-(p-tolyl)benzamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C27H26N4O3S/c1-18-13-15-20(16-14-18)28-26(33)22-11-7-8-12-23(22)35-17-24(32)29-25-19(2)30(3)31(27(25)34)21-9-5-4-6-10-21/h4-16H,17H2,1-3H3,(H,28,33)(H,29,32)