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

Systemtic Name: 2-(phenylsulfanylmethyl)-3-prop-2-enyl-spiro[5H-benzo[h]quinazoline-6,1'-cyclopentane]-4-one Openeye Name: 3-allyl-2-(phenylsulfanylmethyl)spiro[5H-benzo[h]quinazoline-6,1'-cyclopentane]-4-one CAS Name: 2-[(phenylthio)methyl]-3-prop-2-enyl-4-spiro[5H-benzo[h]quinazoline-6,1'-cyclopentane]one IUPAC Name: 2-(phenylsulfanylmethyl)-3-prop-2-enylspiro[5H-benzo[h]quinazoline-6,1'-cyclopentane]-4-one Traditional Name: 3-allyl-2-[(phenylthio)methyl]spiro[5H-benzo[h]quinazoline-6,1'-cyclopentane]-4-one Formula: C26H26N2OS MolecularWeight: 414.56244

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NC2=C(C1=O)CC3(CCCC3)C4=CC=CC=C42)CSC5=CC=CC=C5

Isomeric SMILES

C=CCN1C(=NC2=C(C1=O)CC3(CCCC3)C4=CC=CC=C42)CSC5=CC=CC=C5

InChI

InChI=1S/C26H26N2OS/c1-2-16-28-23(18-30-19-10-4-3-5-11-19)27-24-20-12-6-7-13-22(20)26(14-8-9-15-26)17-21(24)25(28)29/h2-7,10-13H,1,8-9,14-18H2