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

Systemtic Name: 3-(3-methylphenyl)-2-pentylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-(m-tolyl)-2-pentylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(3-methylphenyl)-2-(pentylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(3-methylphenyl)-2-pentylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(amylthio)-3-(m-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C28H32N2OS MolecularWeight: 444.63148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(C(=O)N1C3=CC=CC(=C3)C)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCCSC1=NC2=C(C(=O)N1C3=CC=CC(=C3)C)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C28H32N2OS/c1-3-4-9-17-32-27-29-25-23-14-6-5-12-21(23)19-28(15-7-8-16-28)24(25)26(31)30(27)22-13-10-11-20(2)18-22/h5-6,10-14,18H,3-4,7-9,15-17,19H2,1-2H3