N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[1-(2,5-dimethylphenyl)-2-imidazolyl]thio]propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide Traditional Name: 3-[[1-(2,5-dimethylphenyl)imidazol-2-yl]thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=CN=C2SCCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=CN=C2SCCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C25H27N5O2S/c1-17-10-11-18(2)21(16-17)29-14-13-26-25(29)33-15-12-22(31)27-23-19(3)28(4)30(24(23)32)20-8-6-5-7-9-20/h5-11,13-14,16H,12,15H2,1-4H3,(H,27,31)