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

Systemtic Name: 3-(3-methylphenyl)-2-propylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-(m-tolyl)-2-propylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(3-methylphenyl)-2-(propylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(3-methylphenyl)-2-propylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-(m-tolyl)-2-(propylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C26H28N2OS MolecularWeight: 416.57832

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=O)N1C3=CC=CC(=C3)C)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCSC1=NC2=C(C(=O)N1C3=CC=CC(=C3)C)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C26H28N2OS/c1-3-15-30-25-27-23-21-12-5-4-10-19(21)17-26(13-6-7-14-26)22(23)24(29)28(25)20-11-8-9-18(2)16-20/h4-5,8-12,16H,3,6-7,13-15,17H2,1-2H3