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

Systemtic Name: 3-(2-methylpropyl)-2-pentylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-isobutyl-2-pentylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(2-methylpropyl)-2-(pentylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(2-methylpropyl)-2-pentylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(amylthio)-3-isobutyl-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)N1CC(C)C)C3(CCCC3)CC4=CC=CC=C42

Isomeric SMILES

CCCCCSC1=NC2=C(C(=O)N1CC(C)C)C3(CCCC3)CC4=CC=CC=C42

InChI

InChI=1S/C25H34N2OS/c1-4-5-10-15-29-24-26-22-20-12-7-6-11-19(20)16-25(13-8-9-14-25)21(22)23(28)27(24)17-18(2)3/h6-7,11-12,18H,4-5,8-10,13-17H2,1-3H3