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

Systemtic Name: 4-[(Z)-C-ethyl-N-[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylamino]carbonimidoyl]phenolate Openeye Name: 4-[(Z)-C-ethyl-N-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]amino]carbonimidoyl]phenolate CAS Name: 4-[(1Z)-1-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-1-oxoethyl]hydrazinylidene]propyl]phenolate IUPAC Name: 4-[(Z)-C-ethyl-N-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]amino]carbonimidoyl]phenolate Traditional Name: 4-[(Z)-C-ethyl-N-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetyl]amino]carbonimidoyl]phenolate Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O2S/c1-3-15(13-8-10-14(24)11-9-13)21-22-18(25)12-26-19-20-16-6-4-5-7-17(16)23(19)2/h4-11H,3,12H2,1-2H3,(H2,21,22,24,25)