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

Systemtic Name: N-(4-butylphenyl)-2-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-(4-butylphenyl)-2-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-(4-butylphenyl)-2-[[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylacetamide Traditional Name: N-(4-butylphenyl)-2-[[2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl]thio]acetamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C25H30N4O3S/c1-4-5-9-19-12-14-20(15-13-19)26-22(30)16-33-17-23(31)27-24-18(2)28(3)29(25(24)32)21-10-7-6-8-11-21/h6-8,10-15H,4-5,9,16-17H2,1-3H3,(H,26,30)(H,27,31)