6-(2-fluorophenyl)-1,2-dimethyl-8-methylsulfanyl-5-oxidanidyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium

Systemtic Name: 6-(2-fluorophenyl)-1,2-dimethyl-8-methylsulfanyl-5-oxidanidyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Openeye Name: 6-(2-fluorophenyl)-1,2-dimethyl-8-methylsulfanyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium CAS Name: 6-(2-fluorophenyl)-1,2-dimethyl-8-(methylthio)-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium IUPAC Name: 6-(2-fluorophenyl)-1,2-dimethyl-8-methylsulfanyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Traditional Name: 6-(2-fluorophenyl)-1,2-dimethyl-8-(methylthio)-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Formula: C20H18FN3OS MolecularWeight: 367.439823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(=N1)C[N+](=C(C3=C2C=CC(=C3)SC)C4=CC=CC=C4F)[O-])C

Isomeric SMILES

CC1=C(N2C(=N1)C[N+](=C(C3=C2C=CC(=C3)SC)C4=CC=CC=C4F)[O-])C

InChI

InChI=1S/C20H18FN3OS/c1-12-13(2)24-18-9-8-14(26-3)10-16(18)20(23(25)11-19(24)22-12)15-6-4-5-7-17(15)21/h4-10H,11H2,1-3H3