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

Systemtic Name: 2-[(2-methylphenyl)methylsulfanyl]-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-(o-tolylmethylsulfanyl)-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-[(2-methylphenyl)methylthio]-3-phenyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-[(2-methylphenyl)methylsulfanyl]-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-[(2-methylbenzyl)thio]-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C31H30N2OS MolecularWeight: 478.6477

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63

InChI

InChI=1S/C31H30N2OS/c1-22-12-6-7-14-24(22)21-35-30-32-28-26-17-9-8-13-23(26)20-31(18-10-3-11-19-31)27(28)29(34)33(30)25-15-4-2-5-16-25/h2,4-9,12-17H,3,10-11,18-21H2,1H3