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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

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