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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=O)N1CC=C)C3(CCCCC3)CC4=CC=CC=C42

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1CC=C)C3(CCCCC3)CC4=CC=CC=C42

InChI

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