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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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