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

Systemtic Name: 1,2,6-trimethyl-8-methylsulfanyl-5-oxidanidyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Openeye Name: 1,2,6-trimethyl-8-methylsulfanyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium CAS Name: 1,2,6-trimethyl-8-(methylthio)-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium IUPAC Name: 1,2,6-trimethyl-8-methylsulfanyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Traditional Name: 1,2,6-trimethyl-8-(methylthio)-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Formula: C15H17N3OS MolecularWeight: 287.37998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3OS/c1-9-10(2)18-14-6-5-12(20-4)7-13(14)11(3)17(19)8-15(18)16-9/h5-7H,8H2,1-4H3