N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(6-oxo-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[6-oxo-2-(phenethylthio)-4-phenyl-1-pyrimidinyl]acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-oxo-2-phenethylsulfanyl-4-phenylpyrimidin-1-yl)acetamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[6-keto-2-(phenethylthio)-4-phenyl-pyrimidin-1-yl]acetamide Formula: C31H29N5O3S MolecularWeight: 551.65866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C(=O)C=C(N=C3SCCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C(=O)C=C(N=C3SCCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H29N5O3S/c1-22-29(30(39)36(34(22)2)25-16-10-5-11-17-25)33-27(37)21-35-28(38)20-26(24-14-8-4-9-15-24)32-31(35)40-19-18-23-12-6-3-7-13-23/h3-17,20H,18-19,21H2,1-2H3,(H,33,37)