1-methylsulfanyl-3-phenethyl-spiro[5H-benzo[f]phthalazine-6,1'-cyclopentane]-4-one

Systemtic Name: 1-methylsulfanyl-3-phenethyl-spiro[5H-benzo[f]phthalazine-6,1'-cyclopentane]-4-one Openeye Name: 1-methylsulfanyl-3-phenethyl-spiro[5H-benzo[f]phthalazine-6,1'-cyclopentane]-4-one CAS Name: 1-(methylthio)-3-phenethyl-4-spiro[5H-benzo[f]phthalazine-6,1'-cyclopentane]one IUPAC Name: 1-methylsulfanyl-3-phenethylspiro[5H-benzo[f]phthalazine-6,1'-cyclopentane]-4-one Traditional Name: 1-(methylthio)-3-phenethyl-spiro[5H-benzo[f]phthalazine-6,1'-cyclopentane]-4-one Formula: C25H26N2OS MolecularWeight: 402.55174

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=O)C2=C1C3=CC=CC=C3C4(C2)CCCC4)CCC5=CC=CC=C5

Isomeric SMILES

CSC1=NN(C(=O)C2=C1C3=CC=CC=C3C4(C2)CCCC4)CCC5=CC=CC=C5

InChI

InChI=1S/C25H26N2OS/c1-29-23-22-19-11-5-6-12-21(19)25(14-7-8-15-25)17-20(22)24(28)27(26-23)16-13-18-9-3-2-4-10-18/h2-6,9-12H,7-8,13-17H2,1H3