1-(1,2-dihydroacenaphthylen-5-yl)-2-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-ethanone

Systemtic Name: 1-(1,2-dihydroacenaphthylen-5-yl)-2-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-ethanone Openeye Name: 1-(1,2-dihydroacenaphthylen-5-yl)-2-(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-ethanone CAS Name: 1-(1,2-dihydroacenaphthylen-5-yl)-2-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]ethanone IUPAC Name: 1-(1,2-dihydroacenaphthylen-5-yl)-2-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanone Traditional Name: 1-acenaphthen-5-yl-2-[(2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]ethanone Formula: C28H23N3OS MolecularWeight: 449.56672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)SCC(=O)C3=C4C=CC=C5C4=C(CC5)C=C3)C)C6=CC=CC=C6

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)SCC(=O)C3=C4C=CC=C5C4=C(CC5)C=C3)C)C6=CC=CC=C6

InChI

InChI=1S/C28H23N3OS/c1-17-15-25(31-28(29-17)26(18(2)30-31)19-7-4-3-5-8-19)33-16-24(32)22-14-13-21-12-11-20-9-6-10-23(22)27(20)21/h3-10,13-15H,11-12,16H2,1-2H3