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

Systemtic Name: 2-(3-methylbutylsulfanyl)-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-isopentylsulfanyl-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-(3-methylbutylthio)-3-phenethyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-(3-methylbutylsulfanyl)-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(isoamylthio)-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C29H34N2OS MolecularWeight: 458.65806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CC(C)CCSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C29H34N2OS/c1-21(2)15-19-33-28-30-26-24-13-7-6-12-23(24)20-29(16-8-9-17-29)25(26)27(32)31(28)18-14-22-10-4-3-5-11-22/h3-7,10-13,21H,8-9,14-20H2,1-2H3