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

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-(m-tolylmethylsulfanyl)-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-[(3-methylphenyl)methylthio]-3-propyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-3-propylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-[(3-methylbenzyl)thio]-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C28H32N2OS MolecularWeight: 444.63148

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=CC(=C5)C

Isomeric SMILES

CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=CC(=C5)C

InChI

InChI=1S/C28H32N2OS/c1-3-16-30-26(31)24-25(29-27(30)32-19-21-11-9-10-20(2)17-21)23-13-6-5-12-22(23)18-28(24)14-7-4-8-15-28/h5-6,9-13,17H,3-4,7-8,14-16,18-19H2,1-2H3