3-phenethyl-1-prop-2-ynylsulfanyl-spiro[5H-benzo[f]phthalazine-6,1'-cyclohexane]-4-one

Systemtic Name: 3-phenethyl-1-prop-2-ynylsulfanyl-spiro[5H-benzo[f]phthalazine-6,1'-cyclohexane]-4-one Openeye Name: 3-phenethyl-1-prop-2-ynylsulfanyl-spiro[5H-benzo[f]phthalazine-6,1'-cyclohexane]-4-one CAS Name: 3-phenethyl-1-(prop-2-ynylthio)-4-spiro[5H-benzo[f]phthalazine-6,1'-cyclohexane]one IUPAC Name: 3-phenethyl-1-prop-2-ynylsulfanylspiro[5H-benzo[f]phthalazine-6,1'-cyclohexane]-4-one Traditional Name: 3-phenethyl-1-(propargylthio)spiro[5H-benzo[f]phthalazine-6,1'-cyclohexane]-4-one Formula: C28H28N2OS MolecularWeight: 440.59972

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NN(C(=O)C2=C1C3=CC=CC=C3C4(C2)CCCCC4)CCC5=CC=CC=C5

Isomeric SMILES

C#CCSC1=NN(C(=O)C2=C1C3=CC=CC=C3C4(C2)CCCCC4)CCC5=CC=CC=C5

InChI

InChI=1S/C28H28N2OS/c1-2-19-32-26-25-22-13-7-8-14-24(22)28(16-9-4-10-17-28)20-23(25)27(31)30(29-26)18-15-21-11-5-3-6-12-21/h1,3,5-8,11-14H,4,9-10,15-20H2