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

Systemtic Name: 3-ethyl-2-[(2-methylphenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-ethyl-2-(o-tolylmethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-ethyl-2-[(2-methylphenyl)methylthio]-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-ethyl-2-[(2-methylphenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-ethyl-2-[(2-methylbenzyl)thio]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C27H30N2OS MolecularWeight: 430.6049

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=CC=C5C

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=CC=C5C

InChI

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