N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(1-phenylimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(1-phenylimidazol-2-yl)sulfanyl-propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(1-phenylimidazol-2-yl)sulfanyl-propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(1-phenyl-2-imidazolyl)thio]propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-phenylimidazol-2-yl)sulfanylpropanamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[(1-phenylimidazol-2-yl)thio]propionamide Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCSC3=NC=CN3C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCSC3=NC=CN3C4=CC=CC=C4

InChI

InChI=1S/C23H23N5O2S/c1-17-21(22(30)28(26(17)2)19-11-7-4-8-12-19)25-20(29)13-16-31-23-24-14-15-27(23)18-9-5-3-6-10-18/h3-12,14-15H,13,16H2,1-2H3,(H,25,29)