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

Systemtic Name: 3-(2-methoxyphenyl)-2-propan-2-ylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-isopropylsulfanyl-3-(2-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-(2-methoxyphenyl)-2-(propan-2-ylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-(2-methoxyphenyl)-2-propan-2-ylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(isopropylthio)-3-(2-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C27H30N2O2S MolecularWeight: 446.6043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(C(=O)N1C3=CC=CC=C3OC)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CC(C)SC1=NC2=C(C(=O)N1C3=CC=CC=C3OC)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C27H30N2O2S/c1-18(2)32-26-28-24-20-12-6-5-11-19(20)17-27(15-9-4-10-16-27)23(24)25(30)29(26)21-13-7-8-14-22(21)31-3/h5-8,11-14,18H,4,9-10,15-17H2,1-3H3