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

Systemtic Name: 2-phenacylsulfanyl-3-prop-2-enyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-allyl-2-phenacylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-(phenacylthio)-3-prop-2-enyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-phenacylsulfanyl-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-allyl-2-(phenacylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C27H26N2O2S MolecularWeight: 442.57254

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C=CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H26N2O2S/c1-2-16-29-25(31)23-24(28-26(29)32-18-22(30)19-10-4-3-5-11-19)21-13-7-6-12-20(21)17-27(23)14-8-9-15-27/h2-7,10-13H,1,8-9,14-18H2