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

Systemtic Name: 2-methyl-8-methylsulfanyl-5-oxidanidyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Openeye Name: 2-methyl-8-methylsulfanyl-5-oxido-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium CAS Name: 2-methyl-8-(methylthio)-5-oxido-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium IUPAC Name: 2-methyl-8-methylsulfanyl-5-oxido-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Traditional Name: 2-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=CN2C(=N1)C[N+](=C(C3=C2C=CC(=C3)SC)C4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=CN2C(=N1)C[N+](=C(C3=C2C=CC(=C3)SC)C4=CC=CC=C4)[O-]

InChI

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