2-(2-methylprop-2-enylsulfanyl)-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one

Systemtic Name: 2-(2-methylprop-2-enylsulfanyl)-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-(2-methylallylsulfanyl)-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-(2-methylprop-2-enylthio)-3-phenethyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-(2-methylprop-2-enylsulfanyl)-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(2-methylallylthio)-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C28H30N2OS MolecularWeight: 442.6156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CC(=C)CSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C28H30N2OS/c1-20(2)19-32-27-29-25-23-13-7-6-12-22(23)18-28(15-8-9-16-28)24(25)26(31)30(27)17-14-21-10-4-3-5-11-21/h3-7,10-13H,1,8-9,14-19H2,2H3