N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[[4-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[[4-[[(E)-3-phenylacryloyl]amino]phenyl]thio]propionamide Formula: C29H28N4O3S MolecularWeight: 512.62262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=CC=C(C=C3)NC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=CC=C(C=C3)NC(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C29H28N4O3S/c1-20-27(29(36)33(32(20)3)24-12-8-5-9-13-24)31-28(35)21(2)37-25-17-15-23(16-18-25)30-26(34)19-14-22-10-6-4-7-11-22/h4-19,21H,1-3H3,(H,30,34)(H,31,35)/b19-14+