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

Systemtic Name: 2-(2-methylprop-2-enylsulfanyl)-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-(2-methylallylsulfanyl)-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(2-methylprop-2-enylthio)-3-phenyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-(2-methylprop-2-enylsulfanyl)-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(2-methylallylthio)-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C27H28N2OS MolecularWeight: 428.58902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CC(=C)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C27H28N2OS/c1-19(2)18-31-26-28-24-22-14-8-7-11-20(22)17-27(15-9-4-10-16-27)23(24)25(30)29(26)21-12-5-3-6-13-21/h3,5-8,11-14H,1,4,9-10,15-18H2,2H3