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

Systemtic Name: 3-(3-methoxyphenyl)-2-prop-2-enylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-allylsulfanyl-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(3-methoxyphenyl)-2-(prop-2-enylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(3-methoxyphenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(allylthio)-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C26H26N2O2S MolecularWeight: 430.56184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC=C

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC=C

InChI

InChI=1S/C26H26N2O2S/c1-3-15-31-25-27-23-21-12-5-4-9-18(21)17-26(13-6-7-14-26)22(23)24(29)28(25)19-10-8-11-20(16-19)30-2/h3-5,8-12,16H,1,6-7,13-15,17H2,2H3