3-(2-butylsulfanylethanoylamino)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide

Systemtic Name: 3-(2-butylsulfanylethanoylamino)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide Openeye Name: 3-[(2-butylsulfanylacetyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)benzamide CAS Name: 3-[[2-(butylthio)-1-oxoethyl]amino]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)benzamide IUPAC Name: 3-[(2-butylsulfanylacetyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide Traditional Name: 3-[[2-(butylthio)acetyl]amino]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzamide Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)NC1=CC=CC(=C1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCCCSCC(=O)NC1=CC=CC(=C1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C24H28N4O3S/c1-4-5-14-32-16-21(29)25-19-11-9-10-18(15-19)23(30)26-22-17(2)27(3)28(24(22)31)20-12-7-6-8-13-20/h6-13,15H,4-5,14,16H2,1-3H3,(H,25,29)(H,26,30)