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

Systemtic Name: 3-(3-bromophenyl)-2-butylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-(3-bromophenyl)-2-butylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-(3-bromophenyl)-2-(butylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-(3-bromophenyl)-2-butylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-(3-bromophenyl)-2-(butylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C27H29BrN2OS MolecularWeight: 509.50096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=O)N1C3=CC(=CC=C3)Br)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1C3=CC(=CC=C3)Br)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C27H29BrN2OS/c1-2-3-16-32-26-29-24-22-13-6-5-10-19(22)18-27(14-7-4-8-15-27)23(24)25(31)30(26)21-12-9-11-20(28)17-21/h5-6,9-13,17H,2-4,7-8,14-16,18H2,1H3