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

Systemtic Name: 3-(3-bromophenyl)-2-ethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-(3-bromophenyl)-2-ethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-(3-bromophenyl)-2-(ethylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-(3-bromophenyl)-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-(3-bromophenyl)-2-(ethylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C25H25BrN2OS MolecularWeight: 481.4478

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C(=O)N1C3=CC(=CC=C3)Br)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCSC1=NC2=C(C(=O)N1C3=CC(=CC=C3)Br)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C25H25BrN2OS/c1-2-30-24-27-22-20-12-5-4-9-17(20)16-25(13-6-3-7-14-25)21(22)23(29)28(24)19-11-8-10-18(26)15-19/h4-5,8-12,15H,2-3,6-7,13-14,16H2,1H3