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

Systemtic Name: 2-(3-methylbutylsulfanyl)-3-(2-methylprop-2-enyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-isopentylsulfanyl-3-(2-methylallyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(3-methylbutylthio)-3-(2-methylprop-2-enyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-(3-methylbutylsulfanyl)-3-(2-methylprop-2-enyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(isoamylthio)-3-(2-methylallyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C26H34N2OS MolecularWeight: 422.62596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(C(=O)N1CC(=C)C)C3(CCCCC3)CC4=CC=CC=C42

Isomeric SMILES

CC(C)CCSC1=NC2=C(C(=O)N1CC(=C)C)C3(CCCCC3)CC4=CC=CC=C42

InChI

InChI=1S/C26H34N2OS/c1-18(2)12-15-30-25-27-23-21-11-7-6-10-20(21)16-26(13-8-5-9-14-26)22(23)24(29)28(25)17-19(3)4/h6-7,10-11,18H,3,5,8-9,12-17H2,1-2,4H3