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

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(phenylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-benzyl-2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-3-(phenylmethyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-benzyl-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-benzyl-2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C31H27ClN2O2S MolecularWeight: 527.07628

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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=C(C=C5)Cl)CC6=CC=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C31H27ClN2O2S/c32-24-14-12-22(13-15-24)26(35)20-37-30-33-28-25-11-5-4-10-23(25)18-31(16-6-7-17-31)27(28)29(36)34(30)19-21-8-2-1-3-9-21/h1-5,8-15H,6-7,16-20H2