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

Systemtic Name: 3-(3-bromophenyl)-2-pentylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-(3-bromophenyl)-2-pentylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-(3-bromophenyl)-2-(pentylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-(3-bromophenyl)-2-pentylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(amylthio)-3-(3-bromophenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C28H31BrN2OS MolecularWeight: 523.52754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(C(=O)N1C3=CC(=CC=C3)Br)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCCSC1=NC2=C(C(=O)N1C3=CC(=CC=C3)Br)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C28H31BrN2OS/c1-2-3-9-17-33-27-30-25-23-14-6-5-11-20(23)19-28(15-7-4-8-16-28)24(25)26(32)31(27)22-13-10-12-21(29)18-22/h5-6,10-14,18H,2-4,7-9,15-17,19H2,1H3