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

Systemtic Name: 3-cyclopentyl-2-(phenylsulfanylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-cyclopentyl-2-(phenylsulfanylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-cyclopentyl-2-[(phenylthio)methyl]-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-cyclopentyl-2-(phenylsulfanylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-cyclopentyl-2-[(phenylthio)methyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C28H30N2OS MolecularWeight: 442.6156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NC3=C(C2=O)C4(CCCC4)CC5=CC=CC=C53)CSC6=CC=CC=C6

Isomeric SMILES

C1CCC(C1)N2C(=NC3=C(C2=O)C4(CCCC4)CC5=CC=CC=C53)CSC6=CC=CC=C6

InChI

InChI=1S/C28H30N2OS/c31-27-25-26(23-15-7-4-10-20(23)18-28(25)16-8-9-17-28)29-24(30(27)21-11-5-6-12-21)19-32-22-13-2-1-3-14-22/h1-4,7,10,13-15,21H,5-6,8-9,11-12,16-19H2