2-pentylsulfanyl-3-prop-2-enyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one

Systemtic Name: 2-pentylsulfanyl-3-prop-2-enyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-allyl-2-pentylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-(pentylthio)-3-prop-2-enyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-pentylsulfanyl-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-allyl-2-(amylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C24H30N2OS MolecularWeight: 394.5728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(C(=O)N1CC=C)C3(CCCC3)CC4=CC=CC=C42

Isomeric SMILES

CCCCCSC1=NC2=C(C(=O)N1CC=C)C3(CCCC3)CC4=CC=CC=C42

InChI

InChI=1S/C24H30N2OS/c1-3-5-10-16-28-23-25-21-19-12-7-6-11-18(19)17-24(13-8-9-14-24)20(21)22(27)26(23)15-4-2/h4,6-7,11-12H,2-3,5,8-10,13-17H2,1H3