1-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]-2-[(4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]-2-[(4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)sulfanyl]ethanone Openeye Name: 1-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]-2-[(4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)sulfanyl]ethanone CAS Name: 1-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]-2-[(4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)thio]ethanone IUPAC Name: 1-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]-2-[(4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)sulfanyl]ethanone Traditional Name: 1-[(5S)-5-phenyl-3-pyrazolin-1-yl]-2-[(4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)thio]ethanone Formula: C26H26N4OS MolecularWeight: 442.57584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(N=C2CC1)SCC(=O)N3C(C=CN3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(N=C(N=C2CC1)SCC(=O)N3[C@@H](C=CN3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4OS/c31-24(30-23(16-17-27-30)19-10-4-1-5-11-19)18-32-26-28-22-15-9-3-8-14-21(22)25(29-26)20-12-6-2-7-13-20/h1-2,4-7,10-13,16-17,23,27H,3,8-9,14-15,18H2/t23-/m0/s1