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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=O)N1CC3=CC=CO3)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1CC3=CC=CO3)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C26H30N2O2S/c1-2-3-16-31-25-27-23-21-12-6-5-10-19(21)17-26(13-7-4-8-14-26)22(23)24(29)28(25)18-20-11-9-15-30-20/h5-6,9-12,15H,2-4,7-8,13-14,16-18H2,1H3