3-(furan-2-ylmethyl)-2-pentylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one

Systemtic Name: 3-(furan-2-ylmethyl)-2-pentylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-(2-furylmethyl)-2-pentylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(2-furanylmethyl)-2-(pentylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(furan-2-ylmethyl)-2-pentylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(amylthio)-3-(2-furfuryl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C26H30N2O2S MolecularWeight: 434.5936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(C(=O)N1CC3=CC=CO3)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCCSC1=NC2=C(C(=O)N1CC3=CC=CO3)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C26H30N2O2S/c1-2-3-8-16-31-25-27-23-21-12-5-4-10-19(21)17-26(13-6-7-14-26)22(23)24(29)28(25)18-20-11-9-15-30-20/h4-5,9-12,15H,2-3,6-8,13-14,16-18H2,1H3