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

Systemtic Name: 3-[(4-methylphenyl)methyl]-2-pentylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-pentylsulfanyl-3-(p-tolylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-[(4-methylphenyl)methyl]-2-(pentylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-[(4-methylphenyl)methyl]-2-pentylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(amylthio)-3-(4-methylbenzyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C30H36N2OS MolecularWeight: 472.68464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(C(=O)N1CC3=CC=C(C=C3)C)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCCSC1=NC2=C(C(=O)N1CC3=CC=C(C=C3)C)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C30H36N2OS/c1-3-4-10-19-34-29-31-27-25-12-7-6-11-24(25)20-30(17-8-5-9-18-30)26(27)28(33)32(29)21-23-15-13-22(2)14-16-23/h6-7,11-16H,3-5,8-10,17-21H2,1-2H3