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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC5=CC=CC=C5)C6=CC=CC=C6

InChI

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