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

Systemtic Name: 3-methyl-2-phenethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-methyl-2-phenethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-methyl-2-(phenethylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-methyl-2-phenethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-methyl-2-(phenethylthio)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:

CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCCC5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCCC5=CC=CC=C5

InChI

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