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

Systemtic Name: 3-(furan-2-ylmethyl)-2-phenethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-(2-furylmethyl)-2-phenethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(2-furanylmethyl)-2-(phenethylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(furan-2-ylmethyl)-2-phenethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-(2-furfuryl)-2-(phenethylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C29H28N2O2S MolecularWeight: 468.60982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCCC5=CC=CC=C5)CC6=CC=CO6

Isomeric SMILES

C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCCC5=CC=CC=C5)CC6=CC=CO6

InChI

InChI=1S/C29H28N2O2S/c32-27-25-26(24-13-5-4-11-22(24)19-29(25)15-6-7-16-29)30-28(31(27)20-23-12-8-17-33-23)34-18-14-21-9-2-1-3-10-21/h1-5,8-13,17H,6-7,14-16,18-20H2