3-(3-methoxyphenyl)-2-propan-2-ylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one

Systemtic Name: 3-(3-methoxyphenyl)-2-propan-2-ylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-isopropylsulfanyl-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(3-methoxyphenyl)-2-(propan-2-ylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(3-methoxyphenyl)-2-propan-2-ylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(isopropylthio)-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C26H28N2O2S MolecularWeight: 432.57772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(C(=O)N1C3=CC(=CC=C3)OC)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CC(C)SC1=NC2=C(C(=O)N1C3=CC(=CC=C3)OC)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C26H28N2O2S/c1-17(2)31-25-27-23-21-12-5-4-9-18(21)16-26(13-6-7-14-26)22(23)24(29)28(25)19-10-8-11-20(15-19)30-3/h4-5,8-12,15,17H,6-7,13-14,16H2,1-3H3