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

Systemtic Name: 3-(4-ethylsulfanylphenyl)-2-methoxy-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-(4-ethylsulfanylphenyl)-2-methoxy-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-[4-(ethylthio)phenyl]-2-methoxy-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(4-ethylsulfanylphenyl)-2-methoxyspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-[4-(ethylthio)phenyl]-2-methoxy-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C25H26N2O2S MolecularWeight: 418.55114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2OC

Isomeric SMILES

CCSC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2OC

InChI

InChI=1S/C25H26N2O2S/c1-3-30-19-12-10-18(11-13-19)27-23(28)21-22(26-24(27)29-2)20-9-5-4-8-17(20)16-25(21)14-6-7-15-25/h4-5,8-13H,3,6-7,14-16H2,1-2H3