1-methyl-8-methylsulfanyl-5-oxidanidyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium

Systemtic Name: 1-methyl-8-methylsulfanyl-5-oxidanidyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Openeye Name: 1-methyl-8-methylsulfanyl-5-oxido-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium CAS Name: 1-methyl-8-(methylthio)-5-oxido-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium IUPAC Name: 1-methyl-8-methylsulfanyl-5-oxido-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Traditional Name: 1-methyl-8-(methylthio)-5-oxido-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Formula: C19H17N3OS MolecularWeight: 335.42278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2N1C3=C(C=C(C=C3)SC)C(=[N+](C2)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CN=C2N1C3=C(C=C(C=C3)SC)C(=[N+](C2)[O-])C4=CC=CC=C4

InChI

InChI=1S/C19H17N3OS/c1-13-11-20-18-12-21(23)19(14-6-4-3-5-7-14)16-10-15(24-2)8-9-17(16)22(13)18/h3-11H,12H2,1-2H3