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

Systemtic Name: 2-(3-methylbutylsulfanyl)-3-prop-2-enyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-allyl-2-isopentylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-(3-methylbutylthio)-3-prop-2-enyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-(3-methylbutylsulfanyl)-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-allyl-2-(isoamylthio)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:

CC(C)CCSC1=NC2=C(C(=O)N1CC=C)C3(CCCC3)CC4=CC=CC=C42

Isomeric SMILES

CC(C)CCSC1=NC2=C(C(=O)N1CC=C)C3(CCCC3)CC4=CC=CC=C42

InChI

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