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

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

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


Isomeric SMILES

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


InChI

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


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