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

Systemtic Name: 3-(3-bromophenyl)-2-prop-2-enylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-allylsulfanyl-3-(3-bromophenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-(3-bromophenyl)-2-(prop-2-enylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-(3-bromophenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(allylthio)-3-(3-bromophenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C26H25BrN2OS MolecularWeight: 493.4585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25BrN2OS/c1-2-15-31-25-28-23-21-12-5-4-9-18(21)17-26(13-6-3-7-14-26)22(23)24(30)29(25)20-11-8-10-19(27)16-20/h2,4-5,8-12,16H,1,3,6-7,13-15,17H2