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

Systemtic Name: 3-(4-chlorophenyl)-2-phenacylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-(4-chlorophenyl)-2-phenacylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-(4-chlorophenyl)-2-(phenacylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-(4-chlorophenyl)-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-(4-chlorophenyl)-2-(phenacylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C31H27ClN2O2S MolecularWeight: 527.07628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)C5=CC=CC=C5)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)C5=CC=CC=C5)C6=CC=C(C=C6)Cl

InChI

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