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

Systemtic Name: 2-[(2-methylphenyl)methylsulfanyl]-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-(o-tolylmethylsulfanyl)-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-[(2-methylphenyl)methylthio]-3-phenethyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-[(2-methylphenyl)methylsulfanyl]-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-[(2-methylbenzyl)thio]-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C33H34N2OS MolecularWeight: 506.70086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(C(=O)N2CCC4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C(=O)N2CCC4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63

InChI

InChI=1S/C33H34N2OS/c1-24-12-6-7-16-27(24)23-37-32-34-30-28-17-9-8-15-26(28)22-33(19-10-3-11-20-33)29(30)31(36)35(32)21-18-25-13-4-2-5-14-25/h2,4-9,12-17H,3,10-11,18-23H2,1H3