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

Systemtic Name: 1,2-dimethyl-8-methylsulfanyl-5-oxidanidyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Openeye Name: 1,2-dimethyl-8-methylsulfanyl-5-oxido-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium CAS Name: 1,2-dimethyl-8-(methylthio)-5-oxido-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium IUPAC Name: 1,2-dimethyl-8-methylsulfanyl-5-oxido-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Traditional Name: 1,2-dimethyl-8-(methylthio)-5-oxido-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3OS/c1-13-14(2)23-18-10-9-16(25-3)11-17(18)20(15-7-5-4-6-8-15)22(24)12-19(23)21-13/h4-11H,12H2,1-3H3