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

Systemtic Name: 6-(2-chlorophenyl)-1-methyl-8-methylsulfanyl-5-oxidanidyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Openeye Name: 6-(2-chlorophenyl)-1-methyl-8-methylsulfanyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium CAS Name: 6-(2-chlorophenyl)-1-methyl-8-(methylthio)-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium IUPAC Name: 6-(2-chlorophenyl)-1-methyl-8-methylsulfanyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Traditional Name: 6-(2-chlorophenyl)-1-methyl-8-(methylthio)-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Formula: C19H16ClN3OS MolecularWeight: 369.86784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2N1C3=C(C=C(C=C3)SC)C(=[N+](C2)[O-])C4=CC=CC=C4Cl

Isomeric SMILES

CC1=CN=C2N1C3=C(C=C(C=C3)SC)C(=[N+](C2)[O-])C4=CC=CC=C4Cl

InChI

InChI=1S/C19H16ClN3OS/c1-12-10-21-18-11-22(24)19(14-5-3-4-6-16(14)20)15-9-13(25-2)7-8-17(15)23(12)18/h3-10H,11H2,1-2H3