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

Systemtic Name: 2-pentylsulfanyl-3-prop-2-enyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-allyl-2-pentylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(pentylthio)-3-prop-2-enyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-pentylsulfanyl-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-allyl-2-(amylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C25H32N2OS MolecularWeight: 408.59938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(C(=O)N1CC=C)C3(CCCCC3)CC4=CC=CC=C42

Isomeric SMILES

CCCCCSC1=NC2=C(C(=O)N1CC=C)C3(CCCCC3)CC4=CC=CC=C42

InChI

InChI=1S/C25H32N2OS/c1-3-5-11-17-29-24-26-22-20-13-8-7-12-19(20)18-25(14-9-6-10-15-25)21(22)23(28)27(24)16-4-2/h4,7-8,12-13H,2-3,5-6,9-11,14-18H2,1H3