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

Systemtic Name: 2-hexylsulfanyl-3-[(4-methylphenyl)methyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-hexylsulfanyl-3-(p-tolylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(hexylthio)-3-[(4-methylphenyl)methyl]-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-hexylsulfanyl-3-[(4-methylphenyl)methyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(hexylthio)-3-(4-methylbenzyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C31H38N2OS MolecularWeight: 486.71122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C(=O)N1CC3=CC=C(C=C3)C)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCCCSC1=NC2=C(C(=O)N1CC3=CC=C(C=C3)C)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C31H38N2OS/c1-3-4-5-11-20-35-30-32-28-26-13-8-7-12-25(26)21-31(18-9-6-10-19-31)27(28)29(34)33(30)22-24-16-14-23(2)15-17-24/h7-8,12-17H,3-6,9-11,18-22H2,1-2H3