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

Systemtic Name: 3-methyl-2-phenethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-methyl-2-phenethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-methyl-2-(phenethylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-methyl-2-phenethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-methyl-2-(phenethylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C25H26N2OS MolecularWeight: 402.55174

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCCC5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCCC5=CC=CC=C5

InChI

InChI=1S/C25H26N2OS/c1-27-23(28)21-22(26-24(27)29-16-13-18-9-3-2-4-10-18)20-12-6-5-11-19(20)17-25(21)14-7-8-15-25/h2-6,9-12H,7-8,13-17H2,1H3