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

Systemtic Name: 3-(3-bromophenyl)-2-hexylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-(3-bromophenyl)-2-hexylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-(3-bromophenyl)-2-(hexylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-(3-bromophenyl)-2-hexylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-(3-bromophenyl)-2-(hexylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C29H33BrN2OS MolecularWeight: 537.55412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C(=O)N1C3=CC(=CC=C3)Br)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCCCSC1=NC2=C(C(=O)N1C3=CC(=CC=C3)Br)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C29H33BrN2OS/c1-2-3-4-10-18-34-28-31-26-24-15-7-6-12-21(24)20-29(16-8-5-9-17-29)25(26)27(33)32(28)23-14-11-13-22(30)19-23/h6-7,11-15,19H,2-5,8-10,16-18,20H2,1H3