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

Systemtic Name: 2-ethylsulfanyl-3-(3-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-ethylsulfanyl-3-(m-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(ethylthio)-3-(3-methylphenyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-ethylsulfanyl-3-(3-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(ethylthio)-3-(m-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C26H28N2OS MolecularWeight: 416.57832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2OS/c1-3-30-25-27-23-21-13-6-5-11-19(21)17-26(14-7-4-8-15-26)22(23)24(29)28(25)20-12-9-10-18(2)16-20/h5-6,9-13,16H,3-4,7-8,14-15,17H2,1-2H3