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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C(=O)N1CC(=C)C)C3(CCCC3)CC4=CC=CC=C42

Isomeric SMILES

CCCCCCSC1=NC2=C(C(=O)N1CC(=C)C)C3(CCCC3)CC4=CC=CC=C42

InChI

InChI=1S/C26H34N2OS/c1-4-5-6-11-16-30-25-27-23-21-13-8-7-12-20(21)17-26(14-9-10-15-26)22(23)24(29)28(25)18-19(2)3/h7-8,12-13H,2,4-6,9-11,14-18H2,1,3H3