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

Systemtic Name: 3-ethyl-2-phenethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-ethyl-2-phenethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-ethyl-2-(phenethylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-ethyl-2-phenethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-ethyl-2-(phenethylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C26H28N2OS MolecularWeight: 416.57832

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCCC5=CC=CC=C5

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCCC5=CC=CC=C5

InChI

InChI=1S/C26H28N2OS/c1-2-28-24(29)22-23(27-25(28)30-17-14-19-10-4-3-5-11-19)21-13-7-6-12-20(21)18-26(22)15-8-9-16-26/h3-7,10-13H,2,8-9,14-18H2,1H3