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

Systemtic Name: 2-phenethylsulfanyl-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-phenethylsulfanyl-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-(phenethylthio)-3-phenyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-phenethylsulfanyl-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(phenethylthio)-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C30H28N2OS MolecularWeight: 464.62112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCCC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCCC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H28N2OS/c33-28-26-27(25-16-8-7-13-23(25)21-30(26)18-9-10-19-30)31-29(32(28)24-14-5-2-6-15-24)34-20-17-22-11-3-1-4-12-22/h1-8,11-16H,9-10,17-21H2