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

Systemtic Name: 2-phenacylsulfanyl-3-(phenylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-benzyl-2-phenacylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-(phenacylthio)-3-(phenylmethyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-benzyl-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-benzyl-2-(phenacylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C31H28N2O2S MolecularWeight: 492.63122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)C5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)C5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C31H28N2O2S/c34-26(23-13-5-2-6-14-23)21-36-30-32-28-25-16-8-7-15-24(25)19-31(17-9-10-18-31)27(28)29(35)33(30)20-22-11-3-1-4-12-22/h1-8,11-16H,9-10,17-21H2