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

Systemtic Name: 2-methylsulfanyl-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-methylsulfanyl-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(methylthio)-3-phenethyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-methylsulfanyl-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(methylthio)-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C26H28N2OS MolecularWeight: 416.57832

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C26H28N2OS/c1-30-25-27-23-21-13-7-6-12-20(21)18-26(15-8-3-9-16-26)22(23)24(29)28(25)17-14-19-10-4-2-5-11-19/h2,4-7,10-13H,3,8-9,14-18H2,1H3