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

Systemtic Name: 6-(2-chlorophenyl)-1,2-dimethyl-8-methylsulfanyl-5-oxidanidyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Openeye Name: 6-(2-chlorophenyl)-1,2-dimethyl-8-methylsulfanyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium CAS Name: 6-(2-chlorophenyl)-1,2-dimethyl-8-(methylthio)-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium IUPAC Name: 6-(2-chlorophenyl)-1,2-dimethyl-8-methylsulfanyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Traditional Name: 6-(2-chlorophenyl)-1,2-dimethyl-8-(methylthio)-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Formula: C20H18ClN3OS MolecularWeight: 383.89442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(=N1)C[N+](=C(C3=C2C=CC(=C3)SC)C4=CC=CC=C4Cl)[O-])C

Isomeric SMILES

CC1=C(N2C(=N1)C[N+](=C(C3=C2C=CC(=C3)SC)C4=CC=CC=C4Cl)[O-])C

InChI

InChI=1S/C20H18ClN3OS/c1-12-13(2)24-18-9-8-14(26-3)10-16(18)20(23(25)11-19(24)22-12)15-6-4-5-7-17(15)21/h4-10H,11H2,1-3H3