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

Systemtic Name: 3-ethyl-2-[(4-nitrophenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-ethyl-2-[(4-nitrophenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-ethyl-2-[(4-nitrophenyl)methylthio]-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-ethyl-2-[(4-nitrophenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-ethyl-2-[(4-nitrobenzyl)thio]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H27N3O3S/c1-2-28-24(30)22-23(27-25(28)33-17-18-10-12-20(13-11-18)29(31)32)21-9-5-4-8-19(21)16-26(22)14-6-3-7-15-26/h4-5,8-13H,2-3,6-7,14-17H2,1H3