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

Systemtic Name: 3-(3-methylphenyl)-2-propan-2-ylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-isopropylsulfanyl-3-(m-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-(3-methylphenyl)-2-(propan-2-ylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-(3-methylphenyl)-2-propan-2-ylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(isopropylthio)-3-(m-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C27H30N2OS MolecularWeight: 430.6049

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SC(C)C

InChI

InChI=1S/C27H30N2OS/c1-18(2)31-26-28-24-22-13-6-5-11-20(22)17-27(14-7-4-8-15-27)23(24)25(30)29(26)21-12-9-10-19(3)16-21/h5-6,9-13,16,18H,4,7-8,14-15,17H2,1-3H3