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

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-2-prop-2-enylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-allylsulfanyl-3-[(4-methoxyphenyl)methyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-[(4-methoxyphenyl)methyl]-2-(prop-2-enylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-[(4-methoxyphenyl)methyl]-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(allylthio)-3-p-anisyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C28H30N2O2S MolecularWeight: 458.615

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC=C

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC=C

InChI

InChI=1S/C28H30N2O2S/c1-3-17-33-27-29-25-23-10-6-5-9-21(23)18-28(15-7-4-8-16-28)24(25)26(31)30(27)19-20-11-13-22(32-2)14-12-20/h3,5-6,9-14H,1,4,7-8,15-19H2,2H3