10-ethylsulfanyl-7-(3-fluorophenyl)-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one

Systemtic Name: 10-ethylsulfanyl-7-(3-fluorophenyl)-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one Openeye Name: 10-ethylsulfanyl-7-(3-fluorophenyl)-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one CAS Name: 10-(ethylthio)-7-(3-fluorophenyl)-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one IUPAC Name: 10-ethylsulfanyl-7-(3-fluorophenyl)-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one Traditional Name: 10-(ethylthio)-7-(3-fluorophenyl)-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one Formula: C20H16FN3OS MolecularWeight: 365.423943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC2=C(C=C1)C(=NCC3=NC(=O)C=CN32)C4=CC(=CC=C4)F

Isomeric SMILES

CCSC1=CC2=C(C=C1)C(=NCC3=NC(=O)C=CN32)C4=CC(=CC=C4)F

InChI

InChI=1S/C20H16FN3OS/c1-2-26-15-6-7-16-17(11-15)24-9-8-19(25)23-18(24)12-22-20(16)13-4-3-5-14(21)10-13/h3-11H,2,12H2,1H3