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

Systemtic Name: 6-methyl-8-methylsulfanyl-5-oxidanidyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Openeye Name: 6-methyl-8-methylsulfanyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium CAS Name: 6-methyl-8-(methylthio)-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium IUPAC Name: 6-methyl-8-methylsulfanyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Traditional Name: 6-methyl-8-(methylthio)-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Formula: C13H13N3OS MolecularWeight: 259.32682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](CC2=NC=CN2C3=C1C=C(C=C3)SC)[O-]

Isomeric SMILES

CC1=[N+](CC2=NC=CN2C3=C1C=C(C=C3)SC)[O-]

InChI

InChI=1S/C13H13N3OS/c1-9-11-7-10(18-2)3-4-12(11)15-6-5-14-13(15)8-16(9)17/h3-7H,8H2,1-2H3