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

Systemtic Name: 3-(3-bromophenyl)-2-propan-2-ylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-(3-bromophenyl)-2-isopropylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-(3-bromophenyl)-2-(propan-2-ylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-(3-bromophenyl)-2-propan-2-ylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-(3-bromophenyl)-2-(isopropylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C26H27BrN2OS MolecularWeight: 495.47438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(C(=O)N1C3=CC(=CC=C3)Br)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CC(C)SC1=NC2=C(C(=O)N1C3=CC(=CC=C3)Br)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C26H27BrN2OS/c1-17(2)31-25-28-23-21-12-5-4-9-18(21)16-26(13-6-3-7-14-26)22(23)24(30)29(25)20-11-8-10-19(27)15-20/h4-5,8-12,15,17H,3,6-7,13-14,16H2,1-2H3