3-butyl-2-pentylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one

Systemtic Name: 3-butyl-2-pentylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-butyl-2-pentylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-butyl-2-(pentylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-butyl-2-pentylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(amylthio)-3-butyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C25H34N2OS MolecularWeight: 410.61526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(C(=O)N1CCCC)C3(CCCC3)CC4=CC=CC=C42

Isomeric SMILES

CCCCCSC1=NC2=C(C(=O)N1CCCC)C3(CCCC3)CC4=CC=CC=C42

InChI

InChI=1S/C25H34N2OS/c1-3-5-11-17-29-24-26-22-20-13-8-7-12-19(20)18-25(14-9-10-15-25)21(22)23(28)27(24)16-6-4-2/h7-8,12-13H,3-6,9-11,14-18H2,1-2H3