2-[(Z)-C-methyl-N-[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylamino]carbonimidoyl]phenolate

Systemtic Name: 2-[(Z)-C-methyl-N-[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylamino]carbonimidoyl]phenolate Openeye Name: 2-[(Z)-C-methyl-N-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]amino]carbonimidoyl]phenolate CAS Name: 2-[(1Z)-1-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-1-oxoethyl]hydrazinylidene]ethyl]phenolate IUPAC Name: 2-[(Z)-C-methyl-N-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]amino]carbonimidoyl]phenolate Traditional Name: 2-[(Z)-C-methyl-N-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetyl]amino]carbonimidoyl]phenolate Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CSC1=[N+](C2=CC=CC=C2N1)C)C3=CC=CC=C3[O-]

Isomeric SMILES

C/C(=N/NC(=O)CSC1=[N+](C2=CC=CC=C2N1)C)/C3=CC=CC=C3[O-]

InChI

InChI=1S/C18H18N4O2S/c1-12(13-7-3-6-10-16(13)23)20-21-17(24)11-25-18-19-14-8-4-5-9-15(14)22(18)2/h3-10H,11H2,1-2H3,(H2,20,21,23,24)