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

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-phenethyl-2-(p-tolylmethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-[(4-methylphenyl)methylthio]-3-phenethyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-[(4-methylbenzyl)thio]-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C32H32N2OS MolecularWeight: 492.67428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2CCC4=CC=CC=C4)C5(CCCC5)CC6=CC=CC=C63

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2CCC4=CC=CC=C4)C5(CCCC5)CC6=CC=CC=C63

InChI

InChI=1S/C32H32N2OS/c1-23-13-15-25(16-14-23)22-36-31-33-29-27-12-6-5-11-26(27)21-32(18-7-8-19-32)28(29)30(35)34(31)20-17-24-9-3-2-4-10-24/h2-6,9-16H,7-8,17-22H2,1H3