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

Systemtic Name: 2-phenethylsulfanyl-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-phenethylsulfanyl-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(phenethylthio)-3-phenyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-phenethylsulfanyl-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(phenethylthio)-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C31H30N2OS MolecularWeight: 478.6477

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCCC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCCC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H30N2OS/c34-29-27-28(26-17-9-8-14-24(26)22-31(27)19-10-3-11-20-31)32-30(33(29)25-15-6-2-7-16-25)35-21-18-23-12-4-1-5-13-23/h1-2,4-9,12-17H,3,10-11,18-22H2