5-(diethylazaniumyl)-2-[(E)-[2-(1-ethylbenzimidazol-2-yl)sulfanylethanoylhydrazinylidene]methyl]phenolate

Systemtic Name: 5-(diethylazaniumyl)-2-[(E)-[2-(1-ethylbenzimidazol-2-yl)sulfanylethanoylhydrazinylidene]methyl]phenolate Openeye Name: 5-(diethylammonio)-2-[(E)-[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]hydrazono]methyl]phenolate CAS Name: 5-(diethylammonio)-2-[(E)-[[2-[(1-ethyl-2-benzimidazolyl)thio]-1-oxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 5-(diethylazaniumyl)-2-[(E)-[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]hydrazinylidene]methyl]phenolate Traditional Name: 5-(diethylammonio)-2-[(E)-[[2-[(1-ethylbenzimidazol-2-yl)thio]acetyl]hydrazono]methyl]phenolate Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)NN=CC3=C(C=C(C=C3)[NH+](CC)CC)[O-]

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)N/N=C/C3=C(C=C(C=C3)[NH+](CC)CC)[O-]

InChI

InChI=1S/C22H27N5O2S/c1-4-26(5-2)17-12-11-16(20(28)13-17)14-23-25-21(29)15-30-22-24-18-9-7-8-10-19(18)27(22)6-3/h7-14,28H,4-6,15H2,1-3H3,(H,25,29)/b23-14+