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

Systemtic Name: 3-(2-methoxyphenyl)-2-propan-2-ylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-isopropylsulfanyl-3-(2-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(2-methoxyphenyl)-2-(propan-2-ylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(2-methoxyphenyl)-2-propan-2-ylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(isopropylthio)-3-(2-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=C3OC)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CC(C)SC1=NC2=C(C(=O)N1C3=CC=CC=C3OC)C4(CCCC4)CC5=CC=CC=C52

InChI

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