N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]benzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[[(E)-3-(2-thienyl)acryloyl]amino]benzamide Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)C=CC4=CC=CS4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)/C=C/C4=CC=CS4

InChI

InChI=1S/C25H22N4O3S/c1-17-23(25(32)29(28(17)2)20-10-4-3-5-11-20)27-24(31)18-8-6-9-19(16-18)26-22(30)14-13-21-12-7-15-33-21/h3-16H,1-2H3,(H,26,30)(H,27,31)/b14-13+