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

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-(m-tolylmethylsulfanyl)-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-[(3-methylphenyl)methylthio]-3-phenethyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-[(3-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=C1)CSC2=NC3=C(C(=O)N2CCC4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(C(=O)N2CCC4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63

InChI

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