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

Systemtic Name: 2-butylsulfanyl-3-(furan-2-ylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-butylsulfanyl-3-(2-furylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-(butylthio)-3-(2-furanylmethyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-butylsulfanyl-3-(furan-2-ylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(butylthio)-3-(2-furfuryl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=O)N1CC3=CC=CO3)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1CC3=CC=CO3)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C25H28N2O2S/c1-2-3-15-30-24-26-22-20-11-5-4-9-18(20)16-25(12-6-7-13-25)21(22)23(28)27(24)17-19-10-8-14-29-19/h4-5,8-11,14H,2-3,6-7,12-13,15-17H2,1H3