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

Systemtic Name: 2-ethylsulfanyl-3-(2-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-ethylsulfanyl-3-(o-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(ethylthio)-3-(2-methylphenyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-ethylsulfanyl-3-(2-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(ethylthio)-3-(o-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=CC=C3C)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCSC1=NC2=C(C(=O)N1C3=CC=CC=C3C)C4(CCCCC4)CC5=CC=CC=C52

InChI

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