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

Systemtic Name: 2-ethylsulfanyl-3-phenethyl-spiro[5H-benzo[h]quinazoline-6,1'-cyclohexane]-4-one Openeye Name: 2-ethylsulfanyl-3-phenethyl-spiro[5H-benzo[h]quinazoline-6,1'-cyclohexane]-4-one CAS Name: 2-(ethylthio)-3-phenethyl-4-spiro[5H-benzo[h]quinazoline-6,1'-cyclohexane]one IUPAC Name: 2-ethylsulfanyl-3-phenethylspiro[5H-benzo[h]quinazoline-6,1'-cyclohexane]-4-one Traditional Name: 2-(ethylthio)-3-phenethyl-spiro[5H-benzo[h]quinazoline-6,1'-cyclohexane]-4-one Formula: C27H30N2OS MolecularWeight: 430.6049

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(CC3(CCCCC3)C4=CC=CC=C42)C(=O)N1CCC5=CC=CC=C5

Isomeric SMILES

CCSC1=NC2=C(CC3(CCCCC3)C4=CC=CC=C42)C(=O)N1CCC5=CC=CC=C5

InChI

InChI=1S/C27H30N2OS/c1-2-31-26-28-24-21-13-7-8-14-23(21)27(16-9-4-10-17-27)19-22(24)25(30)29(26)18-15-20-11-5-3-6-12-20/h3,5-8,11-14H,2,4,9-10,15-19H2,1H3