3-[(4-methoxyphenyl)methyl]-1-propylsulfanyl-spiro[6H-benzo[f]phthalazine-5,1'-cyclohexane]-4-one

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-1-propylsulfanyl-spiro[6H-benzo[f]phthalazine-5,1'-cyclohexane]-4-one Openeye Name: 3-[(4-methoxyphenyl)methyl]-1-propylsulfanyl-spiro[6H-benzo[f]phthalazine-5,1'-cyclohexane]-4-one CAS Name: 3-[(4-methoxyphenyl)methyl]-1-(propylthio)-4-spiro[6H-benzo[f]phthalazine-5,1'-cyclohexane]one IUPAC Name: 3-[(4-methoxyphenyl)methyl]-1-propylsulfanylspiro[6H-benzo[f]phthalazine-5,1'-cyclohexane]-4-one Traditional Name: 3-p-anisyl-1-(propylthio)spiro[6H-benzo[f]phthalazine-5,1'-cyclohexane]-4-one Formula: C28H32N2O2S MolecularWeight: 460.63088

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN(C(=O)C2=C1C3=CC=CC=C3CC24CCCCC4)CC5=CC=C(C=C5)OC

Isomeric SMILES

CCCSC1=NN(C(=O)C2=C1C3=CC=CC=C3CC24CCCCC4)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C28H32N2O2S/c1-3-17-33-26-24-23-10-6-5-9-21(23)18-28(15-7-4-8-16-28)25(24)27(31)30(29-26)19-20-11-13-22(32-2)14-12-20/h5-6,9-14H,3-4,7-8,15-19H2,1-2H3