2-[(E)-[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylhydrazinylidene]methyl]-6-prop-2-enyl-phenolate

Systemtic Name: 2-[(E)-[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylhydrazinylidene]methyl]-6-prop-2-enyl-phenolate Openeye Name: 2-allyl-6-[(E)-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazono]methyl]phenolate CAS Name: 2-[(E)-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-1-oxoethyl]hydrazinylidene]methyl]-6-prop-2-enylphenolate IUPAC Name: 2-[(E)-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]-6-prop-2-enylphenolate Traditional Name: 2-allyl-6-[(E)-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetyl]hydrazono]methyl]phenolate Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NN=CC3=C(C(=CC=C3)CC=C)[O-]

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)N/N=C/C3=C(C(=CC=C3)CC=C)[O-]

InChI

InChI=1S/C20H20N4O2S/c1-3-7-14-8-6-9-15(19(14)26)12-21-23-18(25)13-27-20-22-16-10-4-5-11-17(16)24(20)2/h3-6,8-12H,1,7,13H2,2H3,(H2,21,23,25,26)