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

Systemtic Name: 1,6-dimethyl-8-methylsulfanyl-5-oxidanidyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Openeye Name: 1,6-dimethyl-8-methylsulfanyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium CAS Name: 1,6-dimethyl-8-(methylthio)-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium IUPAC Name: 1,6-dimethyl-8-methylsulfanyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Traditional Name: 1,6-dimethyl-8-(methylthio)-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Formula: C14H15N3OS MolecularWeight: 273.3534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3OS/c1-9-7-15-14-8-16(18)10(2)12-6-11(19-3)4-5-13(12)17(9)14/h4-7H,8H2,1-3H3