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

Systemtic Name: 2-(3-methylbutylsulfanyl)-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-isopentylsulfanyl-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-(3-methylbutylthio)-3-phenyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-(3-methylbutylsulfanyl)-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(isoamylthio)-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C27H30N2OS MolecularWeight: 430.6049

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(C(=O)N1C3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CC(C)CCSC1=NC2=C(C(=O)N1C3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C27H30N2OS/c1-19(2)14-17-31-26-28-24-22-13-7-6-10-20(22)18-27(15-8-9-16-27)23(24)25(30)29(26)21-11-4-3-5-12-21/h3-7,10-13,19H,8-9,14-18H2,1-2H3